7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine

C71H80ClF3N18O3 — CID 159227889

IUPAC7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine
SMILESC.C.C.CN(C)c1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.CN(C)c1cnn2c(N[C@H]3Cc4ccc(O)cc4C3)cc(-c3cncc(F)c3)nc12.COc1ccc2c(c1)C[C@@H](N)C2.COc1ccc2c(c1)C[C@@H](Nc1cc(-c3cncc(F)c3)nc3c(N(C)C)cnn13)C2
InChIInChI=1S/C23H23FN6O.C22H21FN6O.C13H11ClFN5.C10H13NO.3CH4/c1-29(2)21-13-26-30-22(10-20(28-23(21)30)16-6-17(24)12-25-11-16)27-18-7-14-4-5-19(31-3)9-15(14)8-18;1-28(2)20-12-25-29-21(26-17-6-13-3-4-18(30)8-14(13)7-17)9-19(27-22(20)29)15-5-16(23)11-24-10-15;1-19(2)11-7-17-20-12(14)4-10(18-13(11)20)8-3-9(15)6-16-5-8;1-12-10-3-2-7-4-9(11)5-8(7)6-10;;;/h4-6,9-13,18,27H,7-8H2,1-3H3;3-5,8-12,17,26,30H,6-7H2,1-2H3;3-7H,1-2H3;2-3,6,9H,4-5,11H2,1H3;3*1H4/t18-;17-;;9-;;;/m00.0.../s1
InChIKeyKSNFFPHBICYUFN-GBKFCBABSA-N
MW1325.99 g/mol
LogP12.54
Rot. Bonds12

About 7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine

7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine (PubChem CID 159227889) has the molecular formula C71H80ClF3N18O3 and a molecular weight of 1325.99 g/mol. Its IUPAC name is 7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine
PubChem CID159227889
Molecular FormulaC71H80ClF3N18O3
Molecular Weight1325.99 g/mol
Exact Mass1324.63
IUPAC Name7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine
SMILESC.C.C.CN(C)c1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.CN(C)c1cnn2c(N[C@H]3Cc4ccc(O)cc4C3)cc(-c3cncc(F)c3)nc12.COc1ccc2c(c1)C[C@@H](N)C2.COc1ccc2c(c1)C[C@@H](Nc1cc(-c3cncc(F)c3)nc3c(N(C)C)cnn13)C2
InChIInChI=1S/C23H23FN6O.C22H21FN6O.C13H11ClFN5.C10H13NO.3CH4/c1-29(2)21-13-26-30-22(10-20(28-23(21)30)16-6-17(24)12-25-11-16)27-18-7-14-4-5-19(31-3)9-15(14)8-18;1-28(2)20-12-25-29-21(26-17-6-13-3-4-18(30)8-14(13)7-17)9-19(27-22(20)29)15-5-16(23)11-24-10-15;1-19(2)11-7-17-20-12(14)4-10(18-13(11)20)8-3-9(15)6-16-5-8;1-12-10-3-2-7-4-9(11)5-8(7)6-10;;;/h4-6,9-13,18,27H,7-8H2,1-3H3;3-5,8-12,17,26,30H,6-7H2,1-2H3;3-7H,1-2H3;2-3,6,9H,4-5,11H2,1H3;3*1H4/t18-;17-;;9-;;;/m00.0.../s1
InChIKeyKSNFFPHBICYUFN-GBKFCBABSA-N
XLogP12.54
TPSA227.73 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001325.99
LogP ≤ 512.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine (CID 159227889) is 7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine is C.C.C.CN(C)c1cnn2c(Cl)cc(-c3cncc(F)c3)nc12.CN(C)c1cnn2c(N[C@H]3Cc4ccc(O)cc4C3)cc(-c3cncc(F)c3)nc12.COc1ccc2c(c1)C[C@@H](N)C2.COc1ccc2c(c1)C[C@@H](Nc1cc(-c3cncc(F)c3)nc3c(N(C)C)cnn13)C2.
What is the InChIKey of 7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?
The InChIKey is KSNFFPHBICYUFN-GBKFCBABSA-N. The full InChI is InChI=1S/C23H23FN6O.C22H21FN6O.C13H11ClFN5.C10H13NO.3CH4/c1-29(2)21-13-26-30-22(10-20(28-23(21)30)16-6-17(24)12-25-11-16)27-18-7-14-4-5-19(31-3)9-15(14)8-18;1-28(2)20-12-25-29-21(26-17-6-13-3-4-18(30)8-14(13)7-17)9-19(27-22(20)29)15-5-16(23)11-24-10-15;1-19(2)11-7-17-20-12(14)4-10(18-13(11)20)8-3-9(15)6-16-5-8;1-12-10-3-2-7-4-9(11)5-8(7)6-10;;;/h4-6,9-13,18,27H,7-8H2,1-3H3;3-5,8-12,17,26,30H,6-7H2,1-2H3;3-7H,1-2H3;2-3,6,9H,4-5,11H2,1H3;3*1H4/t18-;17-;;9-;;;/m00.0.../s1.
What are the key properties of 7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine?
7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine has a molecular weight of 1325.99 g/mol, XLogP of 12.54, 12 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(5-fluoro-3-pyridinyl)-N,N-dimethylpyrazolo[1,5-a]pyrimidin-3-amine;(2S)-2-[[3-(dimethylamino)-5-(5-fluoro-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]-2,3-dihydro-1H-inden-5-ol;5-(5-fluoro-3-pyridinyl)-7-N-[(2S)-5-methoxy-2,3-dihydro-1H-inden-2-yl]-3-N,3-N-dimethylpyrazolo[1,5-a]pyrimidine-3,7-diamine;methane;(2S)-5-methoxy-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 159227889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).