N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C23H27N7O — CID 123502812

IUPACN-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1C=CC(n2nc(C3(C)CCNCC3)cc2NC(=O)c2cnn3cccnc23)=CC1
InChIInChI=1S/C23H27N7O/c1-16-4-6-17(7-5-16)30-20(14-19(28-30)23(2)8-11-24-12-9-23)27-22(31)18-15-26-29-13-3-10-25-21(18)29/h3-4,6-7,10,13-16,24H,5,8-9,11-12H2,1-2H3,(H,27,31)
InChIKeyGEBWIOVRQXWBBQ-UHFFFAOYSA-N
MW417.52 g/mol
LogP3.26
Rot. Bonds4

About N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 123502812) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID123502812
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC NameN-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1C=CC(n2nc(C3(C)CCNCC3)cc2NC(=O)c2cnn3cccnc23)=CC1
InChIInChI=1S/C23H27N7O/c1-16-4-6-17(7-5-16)30-20(14-19(28-30)23(2)8-11-24-12-9-23)27-22(31)18-15-26-29-13-3-10-25-21(18)29/h3-4,6-7,10,13-16,24H,5,8-9,11-12H2,1-2H3,(H,27,31)
InChIKeyGEBWIOVRQXWBBQ-UHFFFAOYSA-N
XLogP3.26
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]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

N-(3-methyl-2,3-dihydro-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 142393172
N-[3-[4-(2-amino-2-oxoethyl)piperazin-1-yl]-1-(3-methyl-3,4-dihydropyridin-6-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 144773752
N-[1-(4-cyanophenyl)-3-piperidin-4-ylpyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554751
N-[2-(2-ethylphenyl)-5-methylpyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70497680
4-[1-(5-methyl-2-pyridinyl)-5-(pyrazolo[1,5-a]pyrimidine-3-carbonylamino)pyrazol-3-yl]piperazine-1-sulfinic acid
CID 138657244
N-[1-(4-methylphenyl)-3-[1-(pyrimidin-5-ylmethyl)azetidin-3-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 90272238
N-[3-(1-acetylpiperidin-4-yl)-1-(4-methylphenyl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66554926
N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1251288
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447
N-[2-(2-methylphenyl)pyrazol-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70498397
N-(6-cyclopropyl-5-methyl-2-piperidin-4-yl-4H-indazol-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 166536651
N-[2,2-dimethyl-6-(2-methyl-1,3-dioxan-5-yl)-3H-1-benzofuran-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129298284

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 123502812) is N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1C=CC(n2nc(C3(C)CCNCC3)cc2NC(=O)c2cnn3cccnc23)=CC1.
What is the InChIKey of N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GEBWIOVRQXWBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-16-4-6-17(7-5-16)30-20(14-19(28-30)23(2)8-11-24-12-9-23)27-22(31)18-15-26-29-13-3-10-25-21(18)29/h3-4,6-7,10,13-16,24H,5,8-9,11-12H2,1-2H3,(H,27,31).
What are the key properties of N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 417.52 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylcyclohexa-1,5-dien-1-yl)-3-(4-methylpiperidin-4-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 123502812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).