(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen

C74H90Cl4F4N24O4 — CID 159573700

IUPAC(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen
SMILESCC(C)(Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(=O)NCCC(F)(F)F.CCCNC(=O)C(C)(C)Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.O=C(NC1CC1)C1CCCN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.O=C(NC1CC1)[C@H]1CCCN1c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H18ClFN6O.C19H19ClN6O.C18H18ClF3N6O.C18H21ClN6O.7H2/c20-10-6-12-13(8-23-16(12)22-7-10)17-24-9-14(21)18(26-17)27-5-1-2-15(27)19(28)25-11-3-4-11;20-11-8-13-14(10-23-17(13)22-9-11)18-21-6-5-16(25-18)26-7-1-2-15(26)19(27)24-12-3-4-12;1-17(2,16(29)24-6-4-18(20,21)22)28-13-3-5-23-15(27-13)12-9-26-14-11(12)7-10(19)8-25-14;1-4-6-21-17(26)18(2,3)25-14-5-7-20-16(24-14)13-10-23-15-12(13)8-11(19)9-22-15;;;;;;;/h6-9,11,15H,1-5H2,(H,22,23)(H,25,28);5-6,8-10,12,15H,1-4,7H2,(H,22,23)(H,24,27);3,5,7-9H,4,6H2,1-2H3,(H,24,29)(H,25,26)(H,23,27,28);5,7-10H,4,6H2,1-3H3,(H,21,26)(H,22,23)(H,20,24,25);7*1H/t15-;;;;;;;;;;/m1........../s1
InChIKeyMIDDZHCGXPWZSJ-MPROMRISSA-N
MW1597.50 g/mol
LogP15.02
Rot. Bonds20

About (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen

(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 159573700) has the molecular formula C74H90Cl4F4N24O4 and a molecular weight of 1597.50 g/mol. Its IUPAC name is (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-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-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID159573700
Molecular FormulaC74H90Cl4F4N24O4
Molecular Weight1597.50 g/mol
Exact Mass1594.63
IUPAC Name(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen
SMILESCC(C)(Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(=O)NCCC(F)(F)F.CCCNC(=O)C(C)(C)Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.O=C(NC1CC1)C1CCCN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.O=C(NC1CC1)[C@H]1CCCN1c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C19H18ClFN6O.C19H19ClN6O.C18H18ClF3N6O.C18H21ClN6O.7H2/c20-10-6-12-13(8-23-16(12)22-7-10)17-24-9-14(21)18(26-17)27-5-1-2-15(27)19(28)25-11-3-4-11;20-11-8-13-14(10-23-17(13)22-9-11)18-21-6-5-16(25-18)26-7-1-2-15(26)19(27)24-12-3-4-12;1-17(2,16(29)24-6-4-18(20,21)22)28-13-3-5-23-15(27-13)12-9-26-14-11(12)7-10(19)8-25-14;1-4-6-21-17(26)18(2,3)25-14-5-7-20-16(24-14)13-10-23-15-12(13)8-11(19)9-22-15;;;;;;;/h6-9,11,15H,1-5H2,(H,22,23)(H,25,28);5-6,8-10,12,15H,1-4,7H2,(H,22,23)(H,24,27);3,5,7-9H,4,6H2,1-2H3,(H,24,29)(H,25,26)(H,23,27,28);5,7-10H,4,6H2,1-3H3,(H,21,26)(H,22,23)(H,20,24,25);7*1H/t15-;;;;;;;;;;/m1........../s1
InChIKeyMIDDZHCGXPWZSJ-MPROMRISSA-N
XLogP15.02
TPSA364.78 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds20
Heavy Atoms110
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001597.50
LogP ≤ 515.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen with MolForge

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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-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-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-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen (CID 159573700) is (2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-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-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-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-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen is CC(C)(Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1)C(=O)NCCC(F)(F)F.CCCNC(=O)C(C)(C)Nc1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.O=C(NC1CC1)C1CCCN1c1ccnc(-c2c[nH]c3ncc(Cl)cc23)n1.O=C(NC1CC1)[C@H]1CCCN1c1nc(-c2c[nH]c3ncc(Cl)cc23)ncc1F.[H][H].[H][H].[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-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is MIDDZHCGXPWZSJ-MPROMRISSA-N. The full InChI is InChI=1S/C19H18ClFN6O.C19H19ClN6O.C18H18ClF3N6O.C18H21ClN6O.7H2/c20-10-6-12-13(8-23-16(12)22-7-10)17-24-9-14(21)18(26-17)27-5-1-2-15(27)19(28)25-11-3-4-11;20-11-8-13-14(10-23-17(13)22-9-11)18-21-6-5-16(25-18)26-7-1-2-15(26)19(27)24-12-3-4-12;1-17(2,16(29)24-6-4-18(20,21)22)28-13-3-5-23-15(27-13)12-9-26-14-11(12)7-10(19)8-25-14;1-4-6-21-17(26)18(2,3)25-14-5-7-20-16(24-14)13-10-23-15-12(13)8-11(19)9-22-15;;;;;;;/h6-9,11,15H,1-5H2,(H,22,23)(H,25,28);5-6,8-10,12,15H,1-4,7H2,(H,22,23)(H,24,27);3,5,7-9H,4,6H2,1-2H3,(H,24,29)(H,25,26)(H,23,27,28);5,7-10H,4,6H2,1-3H3,(H,21,26)(H,22,23)(H,20,24,25);7*1H/t15-;;;;;;;;;;/m1........../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-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen?
(2R)-1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 1597.50 g/mol, XLogP of 15.02, 20 rotatable bonds, 10 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-cyclopropylpyrrolidine-2-carboxamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-propylpropanamide;2-[[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methyl-N-(3,3,3-trifluoropropyl)propanamide;1-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]-N-cyclopropylpyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159573700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).