N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine

C23H21Cl2N5O — CID 10297860

IUPACN-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2nn3c(Cl)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C23H21Cl2N5O/c1-31-17-8-6-14(7-9-17)22-21(19-12-15(24)13-20(25)30(19)29-22)18-10-11-26-23(28-18)27-16-4-2-3-5-16/h6-13,16H,2-5H2,1H3,(H,26,27,28)
InChIKeyUPURSWNGJDCEHG-UHFFFAOYSA-N
MW454.36 g/mol
LogP6.13
Rot. Bonds5

About N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine

N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 10297860) has the molecular formula C23H21Cl2N5O and a molecular weight of 454.36 g/mol. Its IUPAC name is N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
PubChem CID10297860
Molecular FormulaC23H21Cl2N5O
Molecular Weight454.36 g/mol
Exact Mass453.11
IUPAC NameN-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine
SMILESCOc1ccc(-c2nn3c(Cl)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1
InChIInChI=1S/C23H21Cl2N5O/c1-31-17-8-6-14(7-9-17)22-21(19-12-15(24)13-20(25)30(19)29-22)18-10-11-26-23(28-18)27-16-4-2-3-5-16/h6-13,16H,2-5H2,1H3,(H,26,27,28)
InChIKeyUPURSWNGJDCEHG-UHFFFAOYSA-N
XLogP6.13
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine (CID 10297860) is N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine is COc1ccc(-c2nn3c(Cl)cc(Cl)cc3c2-c2ccnc(NC3CCCC3)n2)cc1.
What is the InChIKey of N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is UPURSWNGJDCEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O/c1-31-17-8-6-14(7-9-17)22-21(19-12-15(24)13-20(25)30(19)29-22)18-10-11-26-23(28-18)27-16-4-2-3-5-16/h6-13,16H,2-5H2,1H3,(H,26,27,28).
What are the key properties of N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine?
N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 454.36 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-[5,7-dichloro-2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 10297860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).