3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine

C28H34FN7 — CID 23400125

IUPAC3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine
SMILESCC(C)Nc1cc(NC(C)C)n2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1
InChIInChI=1S/C28H34FN7/c1-17(2)31-22-15-24-26(23-13-14-30-28(34-23)33-21-7-5-6-8-21)27(19-9-11-20(29)12-10-19)35-36(24)25(16-22)32-18(3)4/h9-18,21,31-32H,5-8H2,1-4H3,(H,30,33,34)
InChIKeyJJHWFSQNNDKSJU-UHFFFAOYSA-N
MW487.63 g/mol
LogP6.59
Rot. Bonds8

About 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine

3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine (PubChem CID 23400125) has the molecular formula C28H34FN7 and a molecular weight of 487.63 g/mol. Its IUPAC name is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine.

Molecular Properties

Compound Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine
PubChem CID23400125
Molecular FormulaC28H34FN7
Molecular Weight487.63 g/mol
Exact Mass487.29
IUPAC Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine
SMILESCC(C)Nc1cc(NC(C)C)n2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1
InChIInChI=1S/C28H34FN7/c1-17(2)31-22-15-24-26(23-13-14-30-28(34-23)33-21-7-5-6-8-21)27(19-9-11-20(29)12-10-19)35-36(24)25(16-22)32-18(3)4/h9-18,21,31-32H,5-8H2,1-4H3,(H,30,33,34)
InChIKeyJJHWFSQNNDKSJU-UHFFFAOYSA-N
XLogP6.59
TPSA79.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.63
LogP ≤ 56.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine?
The IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine (CID 23400125) is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine.
What is the SMILES notation for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine?
The canonical SMILES for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine is CC(C)Nc1cc(NC(C)C)n2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1.
What is the InChIKey of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine?
The InChIKey is JJHWFSQNNDKSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN7/c1-17(2)31-22-15-24-26(23-13-14-30-28(34-23)33-21-7-5-6-8-21)27(19-9-11-20(29)12-10-19)35-36(24)25(16-22)32-18(3)4/h9-18,21,31-32H,5-8H2,1-4H3,(H,30,33,34).
What are the key properties of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine?
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine has a molecular weight of 487.63 g/mol, XLogP of 6.59, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-N,7-N-di(propan-2-yl)pyrazolo[1,5-a]pyridine-5,7-diamine is sourced from PubChem (CID 23400125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).