1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid

C23H27N5O2 — CID 56656091

IUPAC1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(N3CCCCC3)c3cc(C4CCCCC4)ccc3n2)c1
InChIInChI=1S/C23H27N5O2/c29-22(30)18-14-24-28(15-18)23-25-20-10-9-17(16-7-3-1-4-8-16)13-19(20)21(26-23)27-11-5-2-6-12-27/h9-10,13-16H,1-8,11-12H2,(H,29,30)
InChIKeyXBLFWPXAWWFYMM-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.55
Rot. Bonds4

About 1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid

1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid (PubChem CID 56656091) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
PubChem CID56656091
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc(N3CCCCC3)c3cc(C4CCCCC4)ccc3n2)c1
InChIInChI=1S/C23H27N5O2/c29-22(30)18-14-24-28(15-18)23-25-20-10-9-17(16-7-3-1-4-8-16)13-19(20)21(26-23)27-11-5-2-6-12-27/h9-10,13-16H,1-8,11-12H2,(H,29,30)
InChIKeyXBLFWPXAWWFYMM-UHFFFAOYSA-N
XLogP4.55
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 56656538
1-[7-chloro-6-(2-methylphenyl)-4-pyrrolidin-1-ylquinazolin-2-yl]pyrazole-4-carboxylic acid
CID 66747410
1-[6-[(2,6-dimethylphenyl)methylamino]-7-fluoro-4-pyrrolidin-1-ylquinazolin-2-yl]pyrazole-4-carboxylic acid
CID 66747407
1-(6-benzyl-4-morpholin-4-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 66747350
1-[7-chloro-6-[2-(2,6-dimethylphenyl)ethyl]-4-pyrrolidin-1-ylquinazolin-2-yl]pyrazole-4-carboxylic acid
CID 149426940
1-(7-fluoro-4-morpholin-4-yl-6-propan-2-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 66747741
1-[2-(5-cyclopropyl-1H-indazol-3-yl)pyrimidin-4-yl]pyrazole-4-carboxylic acid
CID 166099346
1-quinazolin-2-ylpyrazole-4-carboxylic acid
CID 114789671
1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide
CID 80868517
1-(6-methyl-5-piperidin-1-yl-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
CID 58156036
1-(5-bromo-7-methyl-6H-imidazo[4,5-f]quinolin-2-yl)pyrazole-4-carboxylic acid
CID 135931090
3-(4-fluorophenyl)-2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]quinoline-6-carboxylic acid
CID 141344633

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid (CID 56656091) is 1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid is O=C(O)c1cnn(-c2nc(N3CCCCC3)c3cc(C4CCCCC4)ccc3n2)c1.
What is the InChIKey of 1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
The InChIKey is XBLFWPXAWWFYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-22(30)18-14-24-28(15-18)23-25-20-10-9-17(16-7-3-1-4-8-16)13-19(20)21(26-23)27-11-5-2-6-12-27/h9-10,13-16H,1-8,11-12H2,(H,29,30).
What are the key properties of 1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid?
1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid has a molecular weight of 405.50 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyclohexyl-4-piperidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 56656091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).