4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide

C18H25N5O3 — CID 162632748

IUPAC4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(C(=O)C(C)C)CC2)nc2[nH][nH]c(=O)c12
InChIInChI=1S/C18H25N5O3/c1-10(2)18(26)23-6-4-12(5-7-23)9-19-16(24)13-8-11(3)14-15(20-13)21-22-17(14)25/h8,10,12H,4-7,9H2,1-3H3,(H,19,24)(H2,20,21,22,25)
InChIKeyCRAOILYXKTVULR-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.18
Rot. Bonds4

About 4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide

4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide (PubChem CID 162632748) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide
PubChem CID162632748
Molecular FormulaC18H25N5O3
Molecular Weight359.43 g/mol
Exact Mass359.20
IUPAC Name4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide
SMILESCc1cc(C(=O)NCC2CCN(C(=O)C(C)C)CC2)nc2[nH][nH]c(=O)c12
InChIInChI=1S/C18H25N5O3/c1-10(2)18(26)23-6-4-12(5-7-23)9-19-16(24)13-8-11(3)14-15(20-13)21-22-17(14)25/h8,10,12H,4-7,9H2,1-3H3,(H,19,24)(H2,20,21,22,25)
InChIKeyCRAOILYXKTVULR-UHFFFAOYSA-N
XLogP1.18
TPSA110.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of 4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide (CID 162632748) is 4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for 4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide is Cc1cc(C(=O)NCC2CCN(C(=O)C(C)C)CC2)nc2[nH][nH]c(=O)c12.
What is the InChIKey of 4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is CRAOILYXKTVULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-10(2)18(26)23-6-4-12(5-7-23)9-19-16(24)13-8-11(3)14-15(20-13)21-22-17(14)25/h8,10,12H,4-7,9H2,1-3H3,(H,19,24)(H2,20,21,22,25).
What are the key properties of 4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide?
4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-(2-methylpropanoyl)piperidin-4-yl]methyl]-3-oxo-1,2-dihydropyrazolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 162632748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).