3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide

C27H31N7O2 — CID 42099767

IUPAC3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCn2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1
InChIInChI=1S/C27H31N7O2/c1-36-23-10-7-21(8-11-23)9-12-25(35)28-13-14-34-27-24(19-31-34)26(29-20-30-27)33-17-15-32(16-18-33)22-5-3-2-4-6-22/h2-8,10-11,19-20H,9,12-18H2,1H3,(H,28,35)
InChIKeyNUJYWEZIUHTDRW-UHFFFAOYSA-N
MW485.59 g/mol
LogP2.91
Rot. Bonds9

About 3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide

3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide (PubChem CID 42099767) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide
PubChem CID42099767
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
IUPAC Name3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide
SMILESCOc1ccc(CCC(=O)NCCn2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1
InChIInChI=1S/C27H31N7O2/c1-36-23-10-7-21(8-11-23)9-12-25(35)28-13-14-34-27-24(19-31-34)26(29-20-30-27)33-17-15-32(16-18-33)22-5-3-2-4-6-22/h2-8,10-11,19-20H,9,12-18H2,1H3,(H,28,35)
InChIKeyNUJYWEZIUHTDRW-UHFFFAOYSA-N
XLogP2.91
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.59
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide 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 3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide (CID 42099767) is 3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide is COc1ccc(CCC(=O)NCCn2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide?
The InChIKey is NUJYWEZIUHTDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-36-23-10-7-21(8-11-23)9-12-25(35)28-13-14-34-27-24(19-31-34)26(29-20-30-27)33-17-15-32(16-18-33)22-5-3-2-4-6-22/h2-8,10-11,19-20H,9,12-18H2,1H3,(H,28,35).
What are the key properties of 3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide?
3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide has a molecular weight of 485.59 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]propanamide is sourced from PubChem (CID 42099767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).