5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine

C26H27ClN6 — CID 10115398

IUPAC5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCc1cccc(-c2nn3c(NC4CC4)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)c1
InChIInChI=1S/C26H27ClN6/c1-16-5-4-6-17(13-16)25-24(21-11-12-28-26(31-21)30-19-7-2-3-8-19)22-14-18(27)15-23(33(22)32-25)29-20-9-10-20/h4-6,11-15,19-20,29H,2-3,7-10H2,1H3,(H,28,30,31)
InChIKeyWDQYMKZMKUPSGD-UHFFFAOYSA-N
MW459.00 g/mol
LogP6.35
Rot. Bonds6

About 5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine

5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 10115398) has the molecular formula C26H27ClN6 and a molecular weight of 459.00 g/mol. Its IUPAC name is 5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID10115398
Molecular FormulaC26H27ClN6
Molecular Weight459.00 g/mol
Exact Mass458.20
IUPAC Name5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESCc1cccc(-c2nn3c(NC4CC4)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)c1
InChIInChI=1S/C26H27ClN6/c1-16-5-4-6-17(13-16)25-24(21-11-12-28-26(31-21)30-19-7-2-3-8-19)22-14-18(27)15-23(33(22)32-25)29-20-9-10-20/h4-6,11-15,19-20,29H,2-3,7-10H2,1H3,(H,28,30,31)
InChIKeyWDQYMKZMKUPSGD-UHFFFAOYSA-N
XLogP6.35
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.00
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine (CID 10115398) is 5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine is Cc1cccc(-c2nn3c(NC4CC4)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)c1.
What is the InChIKey of 5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is WDQYMKZMKUPSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN6/c1-16-5-4-6-17(13-16)25-24(21-11-12-28-26(31-21)30-19-7-2-3-8-19)22-14-18(27)15-23(33(22)32-25)29-20-9-10-20/h4-6,11-15,19-20,29H,2-3,7-10H2,1H3,(H,28,30,31).
What are the key properties of 5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine?
5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 459.00 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-methylphenyl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 10115398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).