N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide

C24H31N7O2 — CID 42099687

IUPACN-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide
SMILESCOc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C24H31N7O2/c1-33-20-8-6-19(7-9-20)29-12-14-30(15-13-29)22-21-16-28-31(23(21)27-17-26-22)11-10-25-24(32)18-4-2-3-5-18/h6-9,16-18H,2-5,10-15H2,1H3,(H,25,32)
InChIKeyPRSTWVDCDFDYRW-UHFFFAOYSA-N
MW449.56 g/mol
LogP2.47
Rot. Bonds7

About N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide

N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide (PubChem CID 42099687) has the molecular formula C24H31N7O2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide
PubChem CID42099687
Molecular FormulaC24H31N7O2
Molecular Weight449.56 g/mol
Exact Mass449.25
IUPAC NameN-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide
SMILESCOc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)C3CCCC3)CC2)cc1
InChIInChI=1S/C24H31N7O2/c1-33-20-8-6-19(7-9-20)29-12-14-30(15-13-29)22-21-16-28-31(23(21)27-17-26-22)11-10-25-24(32)18-4-2-3-5-18/h6-9,16-18H,2-5,10-15H2,1H3,(H,25,32)
InChIKeyPRSTWVDCDFDYRW-UHFFFAOYSA-N
XLogP2.47
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide?
The IUPAC name of N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide (CID 42099687) is N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide is COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)C3CCCC3)CC2)cc1.
What is the InChIKey of N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide?
The InChIKey is PRSTWVDCDFDYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O2/c1-33-20-8-6-19(7-9-20)29-12-14-30(15-13-29)22-21-16-28-31(23(21)27-17-26-22)11-10-25-24(32)18-4-2-3-5-18/h6-9,16-18H,2-5,10-15H2,1H3,(H,25,32).
What are the key properties of N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide?
N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]cyclopentanecarboxamide is sourced from PubChem (CID 42099687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).