4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol

C27H30N6O — CID 135491468

IUPAC4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol
SMILESOc1ccc(-c2cc3c(-c4ccnc(NC5CCCC5)n4)ccc(NC4CCCC4)n3n2)cc1
InChIInChI=1S/C27H30N6O/c34-21-11-9-18(10-12-21)24-17-25-22(13-14-26(33(25)32-24)29-19-5-1-2-6-19)23-15-16-28-27(31-23)30-20-7-3-4-8-20/h9-17,19-20,29,34H,1-8H2,(H,28,30,31)
InChIKeyGAAOXZBHKONQTL-UHFFFAOYSA-N
MW454.58 g/mol
LogP5.87
Rot. Bonds6

About 4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol

4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol (PubChem CID 135491468) has the molecular formula C27H30N6O and a molecular weight of 454.58 g/mol. Its IUPAC name is 4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol
PubChem CID135491468
Molecular FormulaC27H30N6O
Molecular Weight454.58 g/mol
Exact Mass454.25
IUPAC Name4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol
SMILESOc1ccc(-c2cc3c(-c4ccnc(NC5CCCC5)n4)ccc(NC4CCCC4)n3n2)cc1
InChIInChI=1S/C27H30N6O/c34-21-11-9-18(10-12-21)24-17-25-22(13-14-26(33(25)32-24)29-19-5-1-2-6-19)23-15-16-28-27(31-23)30-20-7-3-4-8-20/h9-17,19-20,29,34H,1-8H2,(H,28,30,31)
InChIKeyGAAOXZBHKONQTL-UHFFFAOYSA-N
XLogP5.87
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.58
LogP ≤ 55.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol with MolForge

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Related Compounds

Pki-166
CID 6918403
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880075
3-(7-(4-((1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-methylphenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880076
3-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-fluorophenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]phenol
CID 46880102
5-[7-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]-2-fluorophenol
CID 46880104
3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl)phenol
CID 46880136
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-isobutoxyphenyl)pyrazolo[1,5-c]pyrimidin-7-amine
CID 10128427
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-methoxyphenyl)pyrazolo[1,5-c]pyrimidin-7-amine
CID 10151868
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-propoxyphenyl)pyrazolo[1,5-c]pyrimidin-7-amine
CID 10217762
2-(4-butoxyphenyl)-N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-c]pyrimidin-7-amine
CID 10217930
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-[4-(cyclopropylmethoxy)phenyl]pyrazolo[1,5-c]pyrimidin-7-amine
CID 16073758
4-{2-[(6-Methyl[1,2,4]triazolo[4,3-B]pyridazin-8-Yl)amino]ethyl}phenol
CID 86276157

Frequently Asked Questions

What is the IUPAC name of 4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol (CID 135491468) is 4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol is Oc1ccc(-c2cc3c(-c4ccnc(NC5CCCC5)n4)ccc(NC4CCCC4)n3n2)cc1.
What is the InChIKey of 4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol?
The InChIKey is GAAOXZBHKONQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O/c34-21-11-9-18(10-12-21)24-17-25-22(13-14-26(33(25)32-24)29-19-5-1-2-6-19)23-15-16-28-27(31-23)30-20-7-3-4-8-20/h9-17,19-20,29,34H,1-8H2,(H,28,30,31).
What are the key properties of 4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol?
4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol has a molecular weight of 454.58 g/mol, XLogP of 5.87, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(cyclopentylamino)-4-[2-(cyclopentylamino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenol is sourced from PubChem (CID 135491468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).