N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine

C30H37N7O — CID 10128427

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine
SMILESCC(C)COc1ccc(-c2nn3c(NC4CCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C30H37N7O/c1-20(2)19-38-24-13-11-21(12-14-24)28-27(25-15-17-31-29(35-25)33-22-7-3-4-8-22)26-16-18-32-30(37(26)36-28)34-23-9-5-6-10-23/h11-18,20,22-23H,3-10,19H2,1-2H3,(H,32,34)(H,31,33,35)
InChIKeyOTYSVNSCWALPBN-UHFFFAOYSA-N
MW511.67 g/mol
LogP6.60
Rot. Bonds9

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

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine (PubChem CID 10128427) has the molecular formula C30H37N7O and a molecular weight of 511.67 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine
PubChem CID10128427
Molecular FormulaC30H37N7O
Molecular Weight511.67 g/mol
Exact Mass511.31
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine
SMILESCC(C)COc1ccc(-c2nn3c(NC4CCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C30H37N7O/c1-20(2)19-38-24-13-11-21(12-14-24)28-27(25-15-17-31-29(35-25)33-22-7-3-4-8-22)26-16-18-32-30(37(26)36-28)34-23-9-5-6-10-23/h11-18,20,22-23H,3-10,19H2,1-2H3,(H,32,34)(H,31,33,35)
InChIKeyOTYSVNSCWALPBN-UHFFFAOYSA-N
XLogP6.60
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.67
LogP ≤ 56.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine (CID 10128427) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine is CC(C)COc1ccc(-c2nn3c(NC4CCCC4)nccc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine?
The InChIKey is OTYSVNSCWALPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N7O/c1-20(2)19-38-24-13-11-21(12-14-24)28-27(25-15-17-31-29(35-25)33-22-7-3-4-8-22)26-16-18-32-30(37(26)36-28)34-23-9-5-6-10-23/h11-18,20,22-23H,3-10,19H2,1-2H3,(H,32,34)(H,31,33,35).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine has a molecular weight of 511.67 g/mol, XLogP of 6.60, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(2-methylpropoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine is sourced from PubChem (CID 10128427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).