N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

C22H19BrN6O — CID 44513180

IUPACN-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1c[nH]c2ncc(Br)c(N3CCC(c4ccccn4)C3)c12)c1cccnc1
InChIInChI=1S/C22H19BrN6O/c23-16-11-26-21-19(18(12-27-21)28-22(30)14-4-3-7-24-10-14)20(16)29-9-6-15(13-29)17-5-1-2-8-25-17/h1-5,7-8,10-12,15H,6,9,13H2,(H,26,27)(H,28,30)
InChIKeyUWVMMXGLDOULIA-UHFFFAOYSA-N
MW463.34 g/mol
LogP4.36
Rot. Bonds4

About N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide

N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (PubChem CID 44513180) has the molecular formula C22H19BrN6O and a molecular weight of 463.34 g/mol. Its IUPAC name is N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
PubChem CID44513180
Molecular FormulaC22H19BrN6O
Molecular Weight463.34 g/mol
Exact Mass462.08
IUPAC NameN-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
SMILESO=C(Nc1c[nH]c2ncc(Br)c(N3CCC(c4ccccn4)C3)c12)c1cccnc1
InChIInChI=1S/C22H19BrN6O/c23-16-11-26-21-19(18(12-27-21)28-22(30)14-4-3-7-24-10-14)20(16)29-9-6-15(13-29)17-5-1-2-8-25-17/h1-5,7-8,10-12,15H,6,9,13H2,(H,26,27)(H,28,30)
InChIKeyUWVMMXGLDOULIA-UHFFFAOYSA-N
XLogP4.36
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-c)pyridin-3-yl)-
CID 466848
2-(9H-purin-6-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11185393
2-{1H-pyrrolo[2,3-b]pyridin-4-yl}-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 11557879
N-[5-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 44588117
N-Tert-Butyl-2-(5,6,7,8-Tetrahydroimidazo[1,5-A]pyridin-1-Yl)-5h-Pyrrolo[2,3-B]pyrazine-7-Carboxamide
CID 71280008
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(3,2-c)pyridin-3-yl)-
CID 466847
6H-Dipyrido(3,2-b:2',3'-e)(1,4)diazepin-6-one, 11-ethyl-5,11-dihydro-5-methyl-2-(1H-pyrrolo(2,3-b)pyridin-3-yl)-
CID 5327622
2-(2-amino-5-bromopyrimidin-4-yl)-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 24776679
4-amino-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
CID 50940492
4-amino-2,6-dimethyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinazoline-8-carboxamide
CID 53326216
5-(piperidin-4-ylmethylamino)-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624488
N-[5-(2,6-difluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(2-piperidin-4-ylethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624603

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide (CID 44513180) is N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is O=C(Nc1c[nH]c2ncc(Br)c(N3CCC(c4ccccn4)C3)c12)c1cccnc1.
What is the InChIKey of N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
The InChIKey is UWVMMXGLDOULIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN6O/c23-16-11-26-21-19(18(12-27-21)28-22(30)14-4-3-7-24-10-14)20(16)29-9-6-15(13-29)17-5-1-2-8-25-17/h1-5,7-8,10-12,15H,6,9,13H2,(H,26,27)(H,28,30).
What are the key properties of N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide?
N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide has a molecular weight of 463.34 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-4-(3-pyridin-2-ylpyrrolidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44513180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).