N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C25H27N7O — CID 70921256

IUPACN-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCNN1CCN(c2ccccc2NC(=O)c2ccn3ncc(-c4cccc(C)c4)c3n2)CC1
InChIInChI=1S/C25H27N7O/c1-18-6-5-7-19(16-18)20-17-27-32-11-10-22(28-24(20)32)25(33)29-21-8-3-4-9-23(21)30-12-14-31(26-2)15-13-30/h3-11,16-17,26H,12-15H2,1-2H3,(H,29,33)
InChIKeyCZTYEDPFVZFAAP-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.21
Rot. Bonds5

About N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 70921256) has the molecular formula C25H27N7O and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID70921256
Molecular FormulaC25H27N7O
Molecular Weight441.54 g/mol
Exact Mass441.23
IUPAC NameN-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCNN1CCN(c2ccccc2NC(=O)c2ccn3ncc(-c4cccc(C)c4)c3n2)CC1
InChIInChI=1S/C25H27N7O/c1-18-6-5-7-19(16-18)20-17-27-32-11-10-22(28-24(20)32)25(33)29-21-8-3-4-9-23(21)30-12-14-31(26-2)15-13-30/h3-11,16-17,26H,12-15H2,1-2H3,(H,29,33)
InChIKeyCZTYEDPFVZFAAP-UHFFFAOYSA-N
XLogP3.21
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 70921256) is N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is CNN1CCN(c2ccccc2NC(=O)c2ccn3ncc(-c4cccc(C)c4)c3n2)CC1.
What is the InChIKey of N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is CZTYEDPFVZFAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O/c1-18-6-5-7-19(16-18)20-17-27-32-11-10-22(28-24(20)32)25(33)29-21-8-3-4-9-23(21)30-12-14-31(26-2)15-13-30/h3-11,16-17,26H,12-15H2,1-2H3,(H,29,33).
What are the key properties of N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(methylamino)piperazin-1-yl]phenyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 70921256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).