2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate

C27H31N7O2 — CID 46871756

IUPAC2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4cccc(N5CCNCC5)c4)cnn3c2N)cc1
InChIInChI=1S/C27H31N7O2/c1-18(2)17-36-27(35)32-21-8-6-19(7-9-21)23-15-30-26-24(16-31-34(26)25(23)28)20-4-3-5-22(14-20)33-12-10-29-11-13-33/h3-9,14-16,18,29H,10-13,17,28H2,1-2H3,(H,32,35)
InChIKeyPDQSBODXIIIHSM-UHFFFAOYSA-N
MW485.59 g/mol
LogP4.26
Rot. Bonds6

About 2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate

2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate (PubChem CID 46871756) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate.

Molecular Properties

Compound Name2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate
PubChem CID46871756
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate
SMILESCC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4cccc(N5CCNCC5)c4)cnn3c2N)cc1
InChIInChI=1S/C27H31N7O2/c1-18(2)17-36-27(35)32-21-8-6-19(7-9-21)23-15-30-26-24(16-31-34(26)25(23)28)20-4-3-5-22(14-20)33-12-10-29-11-13-33/h3-9,14-16,18,29H,10-13,17,28H2,1-2H3,(H,32,35)
InChIKeyPDQSBODXIIIHSM-UHFFFAOYSA-N
XLogP4.26
TPSA109.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate?
The IUPAC name of 2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate (CID 46871756) is 2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate.
What is the SMILES notation for 2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate?
The canonical SMILES for 2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate is CC(C)COC(=O)Nc1ccc(-c2cnc3c(-c4cccc(N5CCNCC5)c4)cnn3c2N)cc1.
What is the InChIKey of 2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate?
The InChIKey is PDQSBODXIIIHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-18(2)17-36-27(35)32-21-8-6-19(7-9-21)23-15-30-26-24(16-31-34(26)25(23)28)20-4-3-5-22(14-20)33-12-10-29-11-13-33/h3-9,14-16,18,29H,10-13,17,28H2,1-2H3,(H,32,35).
What are the key properties of 2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate?
2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate has a molecular weight of 485.59 g/mol, XLogP of 4.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-[4-[7-amino-3-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-6-yl]phenyl]carbamate is sourced from PubChem (CID 46871756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).