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

C18H16BrF2N5O — CID 176656235

IUPAC5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)(F)CC1)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C18H16BrF2N5O/c19-11-7-12-13(9-24-16(12)23-8-11)17(27)25-14-10-22-4-1-15(14)26-5-2-18(20,21)3-6-26/h1,4,7-10H,2-3,5-6H2,(H,23,24)(H,25,27)
InChIKeyBGIAAHGQRRVJEP-UHFFFAOYSA-N
MW436.26 g/mol
LogP4.21
Rot. Bonds3

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

5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 176656235) has the molecular formula C18H16BrF2N5O and a molecular weight of 436.26 g/mol. Its IUPAC name is 5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID176656235
Molecular FormulaC18H16BrF2N5O
Molecular Weight436.26 g/mol
Exact Mass435.05
IUPAC Name5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESO=C(Nc1cnccc1N1CCC(F)(F)CC1)c1c[nH]c2ncc(Br)cc12
InChIInChI=1S/C18H16BrF2N5O/c19-11-7-12-13(9-24-16(12)23-8-11)17(27)25-14-10-22-4-1-15(14)26-5-2-18(20,21)3-6-26/h1,4,7-10H,2-3,5-6H2,(H,23,24)(H,25,27)
InChIKeyBGIAAHGQRRVJEP-UHFFFAOYSA-N
XLogP4.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.26
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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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-b)pyridin-3-yl)-
CID 5327622
N-[5-(4-cyanophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyridine-3-carboxamide
CID 44588117
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-fluoropiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 59292007
4-[[(3S,4R)-1-(5-cyano-2-pyridinyl)-3-methylpiperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 122182159
N-[(6-Bromo-1H-imidazo[4,5-b]pyridin-2-yl)methyl]benzamide
CID 342996
N-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridine-3-carboxamide
CID 9858007
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CID 11955790
4-[[1-(5-cyano-2-pyridinyl)piperidin-4-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 15953526
4-{[1-(5-carbamoylpyridine-2-yl)piperidine-4-yl]amino}-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 24958852
2-methyl-N-[4-propan-2-yl-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]phenyl]pyridine-3-carboxamide
CID 49870935
2-(4-fluorophenyl)-N-pyridin-3-yl-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766887
2-(4-fluorophenyl)-N-(6-methyl-3-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 57766920

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 176656235) is 5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is O=C(Nc1cnccc1N1CCC(F)(F)CC1)c1c[nH]c2ncc(Br)cc12.
What is the InChIKey of 5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is BGIAAHGQRRVJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF2N5O/c19-11-7-12-13(9-24-16(12)23-8-11)17(27)25-14-10-22-4-1-15(14)26-5-2-18(20,21)3-6-26/h1,4,7-10H,2-3,5-6H2,(H,23,24)(H,25,27).
What are the key properties of 5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?
5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 436.26 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[4-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 176656235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).