3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one

C27H29N7O2 — CID 67337803

IUPAC3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one
SMILESCC1(C)CN(C(=O)c2cc(N3CCC(c4cc5ccccc5[nH]c4=O)CC3)ncn2)Cc2cn[nH]c21
InChIInChI=1S/C27H29N7O2/c1-27(2)15-34(14-19-13-30-32-24(19)27)26(36)22-12-23(29-16-28-22)33-9-7-17(8-10-33)20-11-18-5-3-4-6-21(18)31-25(20)35/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H,30,32)(H,31,35)
InChIKeyPWFWQAPCTAJRRO-UHFFFAOYSA-N
MW483.58 g/mol
LogP3.36
Rot. Bonds3

About 3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one

3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one (PubChem CID 67337803) has the molecular formula C27H29N7O2 and a molecular weight of 483.58 g/mol. Its IUPAC name is 3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one
PubChem CID67337803
Molecular FormulaC27H29N7O2
Molecular Weight483.58 g/mol
Exact Mass483.24
IUPAC Name3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one
SMILESCC1(C)CN(C(=O)c2cc(N3CCC(c4cc5ccccc5[nH]c4=O)CC3)ncn2)Cc2cn[nH]c21
InChIInChI=1S/C27H29N7O2/c1-27(2)15-34(14-19-13-30-32-24(19)27)26(36)22-12-23(29-16-28-22)33-9-7-17(8-10-33)20-11-18-5-3-4-6-21(18)31-25(20)35/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H,30,32)(H,31,35)
InChIKeyPWFWQAPCTAJRRO-UHFFFAOYSA-N
XLogP3.36
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.58
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one?
The IUPAC name of 3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one (CID 67337803) is 3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one?
The canonical SMILES for 3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one is CC1(C)CN(C(=O)c2cc(N3CCC(c4cc5ccccc5[nH]c4=O)CC3)ncn2)Cc2cn[nH]c21.
What is the InChIKey of 3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one?
The InChIKey is PWFWQAPCTAJRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N7O2/c1-27(2)15-34(14-19-13-30-32-24(19)27)26(36)22-12-23(29-16-28-22)33-9-7-17(8-10-33)20-11-18-5-3-4-6-21(18)31-25(20)35/h3-6,11-13,16-17H,7-10,14-15H2,1-2H3,(H,30,32)(H,31,35).
What are the key properties of 3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one?
3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one has a molecular weight of 483.58 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-1H-quinolin-2-one is sourced from PubChem (CID 67337803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).