N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C26H35N5O2 — CID 174866518

IUPACN-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1c(-c2ccccc2)nn2c(C3CCN(CC(C)C)CC3)cc(=O)[nH]c12
InChIInChI=1S/C26H35N5O2/c1-4-5-13-27-26(33)23-24(20-9-7-6-8-10-20)29-31-21(16-22(32)28-25(23)31)19-11-14-30(15-12-19)17-18(2)3/h6-10,16,18-19H,4-5,11-15,17H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyDOHVSSFXGOIWMK-UHFFFAOYSA-N
MW449.60 g/mol
LogP4.05
Rot. Bonds8

About N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 174866518) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID174866518
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1c(-c2ccccc2)nn2c(C3CCN(CC(C)C)CC3)cc(=O)[nH]c12
InChIInChI=1S/C26H35N5O2/c1-4-5-13-27-26(33)23-24(20-9-7-6-8-10-20)29-31-21(16-22(32)28-25(23)31)19-11-14-30(15-12-19)17-18(2)3/h6-10,16,18-19H,4-5,11-15,17H2,1-3H3,(H,27,33)(H,28,32)
InChIKeyDOHVSSFXGOIWMK-UHFFFAOYSA-N
XLogP4.05
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
CID 137026029
ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137018322
N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137018316
5-N-ethyl-1-(2-methylpropyl)-4-oxo-3-N-[2-(4-phenylpiperidin-1-yl)ethyl]pyridine-3,5-dicarboxamide
CID 26350779
4-[10-(2-ethoxyphenyl)-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl]piperidine-1-carboxylic acid
CID 136954043
tert-butyl 4-(2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)piperidine-1-carboxylate
CID 136962861
N-butyl-2,4-diphenylthiophene-3-carboxamide
CID 102375157
2-methyl-3-oxo-5,6-diphenyl-N-propylpyridazine-4-carboxamide
CID 108790559
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60516330
4-(10-ethoxy-2-oxo-1H-pyrimido[1,2-b]indazol-4-yl)-2-methylpiperidine-1-carboxylic acid
CID 136954066
N-(2-methylpropyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 137251700
10-ethoxy-4-(1-methylpiperidin-4-yl)-1H-pyrimido[1,2-b]indazol-2-one
CID 138546502

Frequently Asked Questions

What is the IUPAC name of N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 174866518) is N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCCCNC(=O)c1c(-c2ccccc2)nn2c(C3CCN(CC(C)C)CC3)cc(=O)[nH]c12.
What is the InChIKey of N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is DOHVSSFXGOIWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-4-5-13-27-26(33)23-24(20-9-7-6-8-10-20)29-31-21(16-22(32)28-25(23)31)19-11-14-30(15-12-19)17-18(2)3/h6-10,16,18-19H,4-5,11-15,17H2,1-3H3,(H,27,33)(H,28,32).
What are the key properties of N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 449.60 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 174866518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).