1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine

C30H30FN7 — CID 69449301

IUPAC1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine
SMILESNCC(N)c1cccc2c(-c3cc(-c4ccccc4)nc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C30H30FN7/c31-21-15-13-20(14-16-21)29-28(27-12-6-11-26(23(33)18-32)38(27)37-29)25-17-24(19-7-2-1-3-8-19)35-30(36-25)34-22-9-4-5-10-22/h1-3,6-8,11-17,22-23H,4-5,9-10,18,32-33H2,(H,34,35,36)
InChIKeyLDWJJTHIKWQNPM-UHFFFAOYSA-N
MW507.62 g/mol
LogP5.58
Rot. Bonds7

About 1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine

1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine (PubChem CID 69449301) has the molecular formula C30H30FN7 and a molecular weight of 507.62 g/mol. Its IUPAC name is 1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine
PubChem CID69449301
Molecular FormulaC30H30FN7
Molecular Weight507.62 g/mol
Exact Mass507.25
IUPAC Name1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine
SMILESNCC(N)c1cccc2c(-c3cc(-c4ccccc4)nc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C30H30FN7/c31-21-15-13-20(14-16-21)29-28(27-12-6-11-26(23(33)18-32)38(27)37-29)25-17-24(19-7-2-1-3-8-19)35-30(36-25)34-22-9-4-5-10-22/h1-3,6-8,11-17,22-23H,4-5,9-10,18,32-33H2,(H,34,35,36)
InChIKeyLDWJJTHIKWQNPM-UHFFFAOYSA-N
XLogP5.58
TPSA107.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.62
LogP ≤ 55.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine?
The IUPAC name of 1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine (CID 69449301) is 1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine.
What is the SMILES notation for 1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine?
The canonical SMILES for 1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine is NCC(N)c1cccc2c(-c3cc(-c4ccccc4)nc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of 1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine?
The InChIKey is LDWJJTHIKWQNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30FN7/c31-21-15-13-20(14-16-21)29-28(27-12-6-11-26(23(33)18-32)38(27)37-29)25-17-24(19-7-2-1-3-8-19)35-30(36-25)34-22-9-4-5-10-22/h1-3,6-8,11-17,22-23H,4-5,9-10,18,32-33H2,(H,34,35,36).
What are the key properties of 1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine?
1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine has a molecular weight of 507.62 g/mol, XLogP of 5.58, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(cyclopentylamino)-6-phenylpyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-7-yl]ethane-1,2-diamine is sourced from PubChem (CID 69449301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).