3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine

C26H30N6O — CID 10114289

IUPAC3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine
SMILESCOc1ccc(-c2nn3ccc(NC(C)C)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C26H30N6O/c1-17(2)28-20-13-15-32-23(16-20)24(25(31-32)18-8-10-21(33-3)11-9-18)22-12-14-27-26(30-22)29-19-6-4-5-7-19/h8-17,19,28H,4-7H2,1-3H3,(H,27,29,30)
InChIKeyRMANLZQDOIEBGU-UHFFFAOYSA-N
MW442.57 g/mol
LogP5.64
Rot. Bonds7

About 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine

3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine (PubChem CID 10114289) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine
PubChem CID10114289
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine
SMILESCOc1ccc(-c2nn3ccc(NC(C)C)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C26H30N6O/c1-17(2)28-20-13-15-32-23(16-20)24(25(31-32)18-8-10-21(33-3)11-9-18)22-12-14-27-26(30-22)29-19-6-4-5-7-19/h8-17,19,28H,4-7H2,1-3H3,(H,27,29,30)
InChIKeyRMANLZQDOIEBGU-UHFFFAOYSA-N
XLogP5.64
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.57
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Pexacerfont
CID 9884366
4-[4-(4,6-dimethylpyrimidin-5-yl)-3-methylphenoxy]-1H-pyrazolo[4,3-c]pyridine
CID 74223726
Ibrutinib N-desacryloyl impurity
CID 58223272
4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
Pyrazolo[1,5-b]pyridazine deriv. 29
CID 6539371
5-(4-Methoxyphenyl)-N-(4-(4-methylpiperazin-1-yl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 44556112
3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
Pci 29732
CID 22347110
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
6-(4-methoxyphenyl)-7-propyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538784

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine (CID 10114289) is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine is COc1ccc(-c2nn3ccc(NC(C)C)cc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is RMANLZQDOIEBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-17(2)28-20-13-15-32-23(16-20)24(25(31-32)18-8-10-21(33-3)11-9-18)22-12-14-27-26(30-22)29-19-6-4-5-7-19/h8-17,19,28H,4-7H2,1-3H3,(H,27,29,30).
What are the key properties of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine?
3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 442.57 g/mol, XLogP of 5.64, 7 rotatable bonds, 2 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-methoxyphenyl)-N-propan-2-ylpyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10114289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).