(4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone

C19H16F2N8O — CID 156811043

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESO=C(c1cnc2c(ccn2-c2ccc(-c3nn[nH]n3)nc2)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H16F2N8O/c20-19(21)4-7-28(8-5-19)18(30)13-9-12-3-6-29(17(12)23-10-13)14-1-2-15(22-11-14)16-24-26-27-25-16/h1-3,6,9-11H,4-5,7-8H2,(H,24,25,26,27)
InChIKeyQUIXLLXOKNNGLW-UHFFFAOYSA-N
MW410.39 g/mol
LogP2.47
Rot. Bonds3

About (4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (PubChem CID 156811043) has the molecular formula C19H16F2N8O and a molecular weight of 410.39 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
PubChem CID156811043
Molecular FormulaC19H16F2N8O
Molecular Weight410.39 g/mol
Exact Mass410.14
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone
SMILESO=C(c1cnc2c(ccn2-c2ccc(-c3nn[nH]n3)nc2)c1)N1CCC(F)(F)CC1
InChIInChI=1S/C19H16F2N8O/c20-19(21)4-7-28(8-5-19)18(30)13-9-12-3-6-29(17(12)23-10-13)14-1-2-15(22-11-14)16-24-26-27-25-16/h1-3,6,9-11H,4-5,7-8H2,(H,24,25,26,27)
InChIKeyQUIXLLXOKNNGLW-UHFFFAOYSA-N
XLogP2.47
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone with MolForge

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Related Compounds

N-({4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}methyl)-6-fluoropyridine-3-carboxamide
CID 49865038
US10399985, Example 31
CID 118278223
US10774086, Example 12
CID 134551927
N-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 165414967
5-[(4-fluoropiperidin-4-yl)methylamino]-N-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 71624712
4-[8-amino-3-[(1R,3S)-3-(2H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-1-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 137635963
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 168277891
(8-Amino-2-pyridin-2-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-yl-methanone
CID 20620151
6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-1,6-naphthyridin-5-one
CID 44181461
6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-N,N-dimethyl-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 155540396
[6-[[(1S)-1-(5-fluoro-2-pyridinyl)ethyl]amino]-1-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,3-b]pyridin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 155567149
7-cyclopentyl-N-(2-fluorophenyl)-2-[(5-piperazin-1-yl-2-pyridinyl)amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 156634874

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone (CID 156811043) is (4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is O=C(c1cnc2c(ccn2-c2ccc(-c3nn[nH]n3)nc2)c1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
The InChIKey is QUIXLLXOKNNGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N8O/c20-19(21)4-7-28(8-5-19)18(30)13-9-12-3-6-29(17(12)23-10-13)14-1-2-15(22-11-14)16-24-26-27-25-16/h1-3,6,9-11H,4-5,7-8H2,(H,24,25,26,27).
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone has a molecular weight of 410.39 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrrolo[2,3-b]pyridin-5-yl]methanone is sourced from PubChem (CID 156811043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).