2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine

C24H26ClN7O — CID 10217206

IUPAC2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine
SMILESCOCCNc1nccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C24H26ClN7O/c1-33-14-13-28-24-27-12-10-20-21(22(31-32(20)24)16-5-4-6-17(25)15-16)19-9-11-26-23(30-19)29-18-7-2-3-8-18/h4-6,9-12,15,18H,2-3,7-8,13-14H2,1H3,(H,27,28)(H,26,29,30)
InChIKeyLHAUOUWJTOVSRN-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.92
Rot. Bonds8

About 2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine

2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine (PubChem CID 10217206) has the molecular formula C24H26ClN7O and a molecular weight of 463.97 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine
PubChem CID10217206
Molecular FormulaC24H26ClN7O
Molecular Weight463.97 g/mol
Exact Mass463.19
IUPAC Name2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine
SMILESCOCCNc1nccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3cccc(Cl)c3)nn12
InChIInChI=1S/C24H26ClN7O/c1-33-14-13-28-24-27-12-10-20-21(22(31-32(20)24)16-5-4-6-17(25)15-16)19-9-11-26-23(30-19)29-18-7-2-3-8-18/h4-6,9-12,15,18H,2-3,7-8,13-14H2,1H3,(H,27,28)(H,26,29,30)
InChIKeyLHAUOUWJTOVSRN-UHFFFAOYSA-N
XLogP4.92
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine?
The IUPAC name of 2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine (CID 10217206) is 2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine.
What is the SMILES notation for 2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine?
The canonical SMILES for 2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine is COCCNc1nccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3cccc(Cl)c3)nn12.
What is the InChIKey of 2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine?
The InChIKey is LHAUOUWJTOVSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN7O/c1-33-14-13-28-24-27-12-10-20-21(22(31-32(20)24)16-5-4-6-17(25)15-16)19-9-11-26-23(30-19)29-18-7-2-3-8-18/h4-6,9-12,15,18H,2-3,7-8,13-14H2,1H3,(H,27,28)(H,26,29,30).
What are the key properties of 2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine?
2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine has a molecular weight of 463.97 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-(2-methoxyethyl)pyrazolo[1,5-c]pyrimidin-7-amine is sourced from PubChem (CID 10217206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).