(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen

C75H89Cl4F5N24O4 — CID 158643574

IUPAC(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen
SMILESCCCNC(=O)[C@H](Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(C)C.CCCNC(=O)[C@H]1CCCN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.CCCNC(=O)[C@H]1CCCN1c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F.O=C(NCC(F)(F)F)[C@H]1C[C@H](F)CN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H20ClFN6O.C19H21ClN6O.C19H23ClN6O.C18H15ClF4N6O.5H2/c1-2-5-22-19(28)15-4-3-6-27(15)18-14(21)10-25-17(26-18)13-9-24-16-12(13)7-11(20)8-23-16;1-2-6-22-19(27)15-4-3-8-26(15)16-5-7-21-18(25-16)14-11-24-17-13(14)9-12(20)10-23-17;1-4-6-22-19(27)16(11(2)3)25-15-5-7-21-18(26-15)14-10-24-17-13(14)8-12(20)9-23-17;19-9-3-11-12(6-26-15(11)25-5-9)16-24-2-1-14(28-16)29-7-10(20)4-13(29)17(30)27-8-18(21,22)23;;;;;/h7-10,15H,2-6H2,1H3,(H,22,28)(H,23,24);5,7,9-11,15H,2-4,6,8H2,1H3,(H,22,27)(H,23,24);5,7-11,16H,4,6H2,1-3H3,(H,22,27)(H,23,24)(H,21,25,26);1-3,5-6,10,13H,4,7-8H2,(H,25,26)(H,27,30);5*1H/t2*15-;16-;10-,13+;;;;;/m1110...../s1
InChIKeyIARMJSJOQWXVRV-ODTSOLEASA-N
MW1627.50 g/mol
LogP14.61
Rot. Bonds21

About (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen

(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 158643574) has the molecular formula C75H89Cl4F5N24O4 and a molecular weight of 1627.50 g/mol. Its IUPAC name is (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID158643574
Molecular FormulaC75H89Cl4F5N24O4
Molecular Weight1627.50 g/mol
Exact Mass1624.62
IUPAC Name(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen
SMILESCCCNC(=O)[C@H](Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(C)C.CCCNC(=O)[C@H]1CCCN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.CCCNC(=O)[C@H]1CCCN1c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F.O=C(NCC(F)(F)F)[C@H]1C[C@H](F)CN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H20ClFN6O.C19H21ClN6O.C19H23ClN6O.C18H15ClF4N6O.5H2/c1-2-5-22-19(28)15-4-3-6-27(15)18-14(21)10-25-17(26-18)13-9-24-16-12(13)7-11(20)8-23-16;1-2-6-22-19(27)15-4-3-8-26(15)16-5-7-21-18(25-16)14-11-24-17-13(14)9-12(20)10-23-17;1-4-6-22-19(27)16(11(2)3)25-15-5-7-21-18(26-15)14-10-24-17-13(14)8-12(20)9-23-17;19-9-3-11-12(6-26-15(11)25-5-9)16-24-2-1-14(28-16)29-7-10(20)4-13(29)17(30)27-8-18(21,22)23;;;;;/h7-10,15H,2-6H2,1H3,(H,22,28)(H,23,24);5,7,9-11,15H,2-4,6,8H2,1H3,(H,22,27)(H,23,24);5,7-11,16H,4,6H2,1-3H3,(H,22,27)(H,23,24)(H,21,25,26);1-3,5-6,10,13H,4,7-8H2,(H,25,26)(H,27,30);5*1H/t2*15-;16-;10-,13+;;;;;/m1110...../s1
InChIKeyIARMJSJOQWXVRV-ODTSOLEASA-N
XLogP14.61
TPSA355.99 Ų
H-Bond Donors9
H-Bond Acceptors20
Rotatable Bonds21
Heavy Atoms112
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001627.50
LogP ≤ 514.61
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1020

Analyze (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

(S)-1-(2-(5-Chloro-1H-pyrrolo[2,3-B]pyridin-3-YL)-5-fluoropyrimidin-4-YL)-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 16655031
(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 24884621
(2S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 24884622
(2S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 24884846
(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)pentanamide
CID 24885066
(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide
CID 24885068
(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-(2,2-difluoroethyl)pyrrolidine-2-carboxamide
CID 24885245
(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-ethylpyrrolidine-2-carboxamide
CID 24885247
1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-2-methyl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 24885453
(2S,3S)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 24885456
(2S,3R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 24885458
(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2-difluoroethyl)-3-methylbutanamide
CID 24885883

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen (CID 158643574) is (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen is CCCNC(=O)[C@H](Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(C)C.CCCNC(=O)[C@H]1CCCN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.CCCNC(=O)[C@H]1CCCN1c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F.O=C(NCC(F)(F)F)[C@H]1C[C@H](F)CN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is IARMJSJOQWXVRV-ODTSOLEASA-N. The full InChI is InChI=1S/C19H20ClFN6O.C19H21ClN6O.C19H23ClN6O.C18H15ClF4N6O.5H2/c1-2-5-22-19(28)15-4-3-6-27(15)18-14(21)10-25-17(26-18)13-9-24-16-12(13)7-11(20)8-23-16;1-2-6-22-19(27)15-4-3-8-26(15)16-5-7-21-18(25-16)14-11-24-17-13(14)9-12(20)10-23-17;1-4-6-22-19(27)16(11(2)3)25-15-5-7-21-18(26-15)14-10-24-17-13(14)8-12(20)9-23-17;19-9-3-11-12(6-26-15(11)25-5-9)16-24-2-1-14(28-16)29-7-10(20)4-13(29)17(30)27-8-18(21,22)23;;;;;/h7-10,15H,2-6H2,1H3,(H,22,28)(H,23,24);5,7,9-11,15H,2-4,6,8H2,1H3,(H,22,27)(H,23,24);5,7-11,16H,4,6H2,1-3H3,(H,22,27)(H,23,24)(H,21,25,26);1-3,5-6,10,13H,4,7-8H2,(H,25,26)(H,27,30);5*1H/t2*15-;16-;10-,13+;;;;;/m1110...../s1.
What are the key properties of (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen?
(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 1627.50 g/mol, XLogP of 14.61, 21 rotatable bonds, 9 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;(2R)-2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-3-methyl-N-propylbutanamide;(2R,4S)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-4-fluoro-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide;(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-propylpyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 158643574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).