N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C25H27FN8O2 — CID 170634759

IUPACN-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1ncc(NC(=O)CN2CCC(F)CC2)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1
InChIInChI=1S/C25H27FN8O2/c1-15-21(9-20(12-27-15)30-23(35)14-34-5-3-19(26)4-6-34)32-25(36)17-7-16-8-22(31-24(16)28-10-17)18-11-29-33(2)13-18/h7-13,19H,3-6,14H2,1-2H3,(H,28,31)(H,30,35)(H,32,36)
InChIKeyHJGSNSXXPREBRP-UHFFFAOYSA-N
MW490.54 g/mol
LogP3.29
Rot. Bonds6

About N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 170634759) has the molecular formula C25H27FN8O2 and a molecular weight of 490.54 g/mol. Its IUPAC name is N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID170634759
Molecular FormulaC25H27FN8O2
Molecular Weight490.54 g/mol
Exact Mass490.22
IUPAC NameN-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
SMILESCc1ncc(NC(=O)CN2CCC(F)CC2)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1
InChIInChI=1S/C25H27FN8O2/c1-15-21(9-20(12-27-15)30-23(35)14-34-5-3-19(26)4-6-34)32-25(36)17-7-16-8-22(31-24(16)28-10-17)18-11-29-33(2)13-18/h7-13,19H,3-6,14H2,1-2H3,(H,28,31)(H,30,35)(H,32,36)
InChIKeyHJGSNSXXPREBRP-UHFFFAOYSA-N
XLogP3.29
TPSA120.83 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.54
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[5-[[2-(6-azaspiro[2.5]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170635105
N-[2-methyl-5-[[2-(2-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634973
N-[5-[[2-(6-azaspiro[3.4]octan-6-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634661
N-[2-methyl-5-[[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)acetyl]amino]-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634506
N-[5-(1-azabicyclo[2.2.2]octane-3-carbonylamino)-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 175971819
N-[2-methyl-5-[(2-piperidin-1-ylacetyl)amino]-3-pyridinyl]-2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634573
N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-(1,3-oxazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634812
N-(2-fluoro-5-methylphenyl)-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634528
2-[5-(hydroxymethyl)thiophen-3-yl]-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634921
N-[5-[[2-(5-azaspiro[2.4]heptan-5-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(3,6-dihydro-2H-pyran-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170634704
N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-2-[1-(oxan-4-yl)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 176547695
2-(2,5-dioxaspiro[3.5]non-7-en-7-yl)-N-[2-methyl-5-[[2-[(2S)-2-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 170635013

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 170634759) is N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is Cc1ncc(NC(=O)CN2CCC(F)CC2)cc1NC(=O)c1cnc2[nH]c(-c3cnn(C)c3)cc2c1.
What is the InChIKey of N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is HJGSNSXXPREBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN8O2/c1-15-21(9-20(12-27-15)30-23(35)14-34-5-3-19(26)4-6-34)32-25(36)17-7-16-8-22(31-24(16)28-10-17)18-11-29-33(2)13-18/h7-13,19H,3-6,14H2,1-2H3,(H,28,31)(H,30,35)(H,32,36).
What are the key properties of N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?
N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 490.54 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(4-fluoropiperidin-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 170634759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).