(3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide

C126H151F7N28O13S — CID 159611559

IUPAC(3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCC(F)(CO)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(CCCO)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCS(=O)(=O)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CC[C@H](N(C)C)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2C[C@H](O)[C@@H](N(C)C)C2)ncn1.CCOC(=O)N1CCN(c2cc(C3=NCc4cc(F)c(OC(C)C)cc43)ncn2)CC1
InChIInChI=1S/C22H26FN5O3.C22H28FN5O2.C21H24F2N4O2.C21H26FN5O2.C21H26FN5O.C19H21FN4O3S/c1-4-30-22(29)28-7-5-27(6-8-28)20-11-18(25-13-26-20)21-16-10-19(31-14(2)3)17(23)9-15(16)12-24-21;1-15(2)30-20-11-17-16(10-18(20)23)13-24-22(17)19-12-21(26-14-25-19)28-7-5-27(6-8-28)4-3-9-29;1-13(2)29-18-8-15-14(7-16(18)22)10-24-20(15)17-9-19(26-12-25-17)27-5-3-21(23,11-28)4-6-27;1-12(2)29-19-6-14-13(5-15(19)22)8-23-21(14)16-7-20(25-11-24-16)27-9-17(26(3)4)18(28)10-27;1-13(2)28-19-8-16-14(7-17(19)22)10-23-21(16)18-9-20(25-12-24-18)27-6-5-15(11-27)26(3)4;1-12(2)27-17-8-14-13(7-15(17)20)10-21-19(14)16-9-18(23-11-22-16)24-3-5-28(25,26)6-4-24/h9-11,13-14H,4-8,12H2,1-3H3;10-12,14-15,29H,3-9,13H2,1-2H3;7-9,12-13,28H,3-6,10-11H2,1-2H3;5-7,11-12,17-18,28H,8-10H2,1-4H3;7-9,12-13,15H,5-6,10-11H2,1-4H3;7-9,11-12H,3-6,10H2,1-2H3/t;;;17-,18-;15-;/m...00./s1
InChIKeyMMTHDDFHXIDZSE-PGUWSFHGSA-N
MW2430.83 g/mol
LogP15.09
Rot. Bonds31

About (3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide

(3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide (PubChem CID 159611559) has the molecular formula C126H151F7N28O13S and a molecular weight of 2430.83 g/mol. Its IUPAC name is (3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide.

Molecular Properties

Compound Name(3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
PubChem CID159611559
Molecular FormulaC126H151F7N28O13S
Molecular Weight2430.83 g/mol
Exact Mass2429.16
IUPAC Name(3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide
SMILESCC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCC(F)(CO)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(CCCO)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCS(=O)(=O)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CC[C@H](N(C)C)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2C[C@H](O)[C@@H](N(C)C)C2)ncn1.CCOC(=O)N1CCN(c2cc(C3=NCc4cc(F)c(OC(C)C)cc43)ncn2)CC1
InChIInChI=1S/C22H26FN5O3.C22H28FN5O2.C21H24F2N4O2.C21H26FN5O2.C21H26FN5O.C19H21FN4O3S/c1-4-30-22(29)28-7-5-27(6-8-28)20-11-18(25-13-26-20)21-16-10-19(31-14(2)3)17(23)9-15(16)12-24-21;1-15(2)30-20-11-17-16(10-18(20)23)13-24-22(17)19-12-21(26-14-25-19)28-7-5-27(6-8-28)4-3-9-29;1-13(2)29-18-8-15-14(7-16(18)22)10-24-20(15)17-9-19(26-12-25-17)27-5-3-21(23,11-28)4-6-27;1-12(2)29-19-6-14-13(5-15(19)22)8-23-21(14)16-7-20(25-11-24-16)27-9-17(26(3)4)18(28)10-27;1-13(2)28-19-8-16-14(7-17(19)22)10-23-21(16)18-9-20(25-12-24-18)27-6-5-15(11-27)26(3)4;1-12(2)27-17-8-14-13(7-15(17)20)10-21-19(14)16-9-18(23-11-22-16)24-3-5-28(25,26)6-4-24/h9-11,13-14H,4-8,12H2,1-3H3;10-12,14-15,29H,3-9,13H2,1-2H3;7-9,12-13,28H,3-6,10-11H2,1-2H3;5-7,11-12,17-18,28H,8-10H2,1-4H3;7-9,12-13,15H,5-6,10-11H2,1-4H3;7-9,11-12H,3-6,10H2,1-2H3/t;;;17-,18-;15-;/m...00./s1
InChIKeyMMTHDDFHXIDZSE-PGUWSFHGSA-N
XLogP15.09
TPSA437.75 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds31
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002430.83
LogP ≤ 515.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Analyze (3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The IUPAC name of (3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide (CID 159611559) is (3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide.
What is the SMILES notation for (3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The canonical SMILES for (3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide is CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCC(F)(CO)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCN(CCCO)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CCS(=O)(=O)CC2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2CC[C@H](N(C)C)C2)ncn1.CC(C)Oc1cc2c(cc1F)CN=C2c1cc(N2C[C@H](O)[C@@H](N(C)C)C2)ncn1.CCOC(=O)N1CCN(c2cc(C3=NCc4cc(F)c(OC(C)C)cc43)ncn2)CC1.
What is the InChIKey of (3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide?
The InChIKey is MMTHDDFHXIDZSE-PGUWSFHGSA-N. The full InChI is InChI=1S/C22H26FN5O3.C22H28FN5O2.C21H24F2N4O2.C21H26FN5O2.C21H26FN5O.C19H21FN4O3S/c1-4-30-22(29)28-7-5-27(6-8-28)20-11-18(25-13-26-20)21-16-10-19(31-14(2)3)17(23)9-15(16)12-24-21;1-15(2)30-20-11-17-16(10-18(20)23)13-24-22(17)19-12-21(26-14-25-19)28-7-5-27(6-8-28)4-3-9-29;1-13(2)29-18-8-15-14(7-16(18)22)10-24-20(15)17-9-19(26-12-25-17)27-5-3-21(23,11-28)4-6-27;1-12(2)29-19-6-14-13(5-15(19)22)8-23-21(14)16-7-20(25-11-24-16)27-9-17(26(3)4)18(28)10-27;1-13(2)28-19-8-16-14(7-17(19)22)10-23-21(16)18-9-20(25-12-24-18)27-6-5-15(11-27)26(3)4;1-12(2)27-17-8-14-13(7-15(17)20)10-21-19(14)16-9-18(23-11-22-16)24-3-5-28(25,26)6-4-24/h9-11,13-14H,4-8,12H2,1-3H3;10-12,14-15,29H,3-9,13H2,1-2H3;7-9,12-13,28H,3-6,10-11H2,1-2H3;5-7,11-12,17-18,28H,8-10H2,1-4H3;7-9,12-13,15H,5-6,10-11H2,1-4H3;7-9,11-12H,3-6,10H2,1-2H3/t;;;17-,18-;15-;/m...00./s1.
What are the key properties of (3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide?
(3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide has a molecular weight of 2430.83 g/mol, XLogP of 15.09, 31 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-(dimethylamino)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]pyrrolidin-3-ol;ethyl 4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate;[4-fluoro-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanol;(3S)-1-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-N,N-dimethylpyrrolidin-3-amine;3-[4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol;4-[6-(5-fluoro-6-propan-2-yloxy-3H-isoindol-1-yl)pyrimidin-4-yl]-1,4-thiazinane 1,1-dioxide is sourced from PubChem (CID 159611559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).