N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

C20H24N6O — CID 132970218

IUPACN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NCc3ccnc(N4CCCCCC4)c3)cc12
InChIInChI=1S/C20H24N6O/c1-14-17-11-16(13-22-19(17)25-24-14)20(27)23-12-15-6-7-21-18(10-15)26-8-4-2-3-5-9-26/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyVXBKQBQKWUXXBK-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.97
Rot. Bonds4

About N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 132970218) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID132970218
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1[nH]nc2ncc(C(=O)NCc3ccnc(N4CCCCCC4)c3)cc12
InChIInChI=1S/C20H24N6O/c1-14-17-11-16(13-22-19(17)25-24-14)20(27)23-12-15-6-7-21-18(10-15)26-8-4-2-3-5-9-26/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,23,27)(H,22,24,25)
InChIKeyVXBKQBQKWUXXBK-UHFFFAOYSA-N
XLogP2.97
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

1-(5-methyl-1H-pyrazol-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 154800962
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CID 87005288
4-(methylsulfonylmethyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753625
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 154833370
4-phenyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 55522332
3-methylsulfonyl-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 36753456
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 154737151
2-oxo-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3,4-dihydro-1H-quinoline-6-carboxamide
CID 87020230
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
methyl 4-[[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]methyl]benzoate
CID 55770129
N,N-diethyl-3-[(2-piperidin-1-yl-4-pyridinyl)methylcarbamoylamino]propanamide
CID 55933714
N-[2-[[2-(azepan-1-yl)-4-pyridinyl]methylamino]-2-oxoethyl]-4-phenylbenzamide
CID 86899036

Frequently Asked Questions

What is the IUPAC name of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 132970218) is N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1[nH]nc2ncc(C(=O)NCc3ccnc(N4CCCCCC4)c3)cc12.
What is the InChIKey of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is VXBKQBQKWUXXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-17-11-16(13-22-19(17)25-24-14)20(27)23-12-15-6-7-21-18(10-15)26-8-4-2-3-5-9-26/h6-7,10-11,13H,2-5,8-9,12H2,1H3,(H,23,27)(H,22,24,25).
What are the key properties of N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 132970218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).