3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C25H24ClN5O2 — CID 58628643

IUPAC3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2ccn3ncc(-c4cccc(Cl)c4)c3n2)ccc1OC1CCNCC1
InChIInChI=1S/C25H24ClN5O2/c1-16-13-19(5-6-23(16)33-20-7-10-27-11-8-20)29-25(32)22-9-12-31-24(30-22)21(15-28-31)17-3-2-4-18(26)14-17/h2-6,9,12-15,20,27H,7-8,10-11H2,1H3,(H,29,32)
InChIKeyYWSQGDVPPCMLCH-UHFFFAOYSA-N
MW461.95 g/mol
LogP4.74
Rot. Bonds5

About 3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 58628643) has the molecular formula C25H24ClN5O2 and a molecular weight of 461.95 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID58628643
Molecular FormulaC25H24ClN5O2
Molecular Weight461.95 g/mol
Exact Mass461.16
IUPAC Name3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCc1cc(NC(=O)c2ccn3ncc(-c4cccc(Cl)c4)c3n2)ccc1OC1CCNCC1
InChIInChI=1S/C25H24ClN5O2/c1-16-13-19(5-6-23(16)33-20-7-10-27-11-8-20)29-25(32)22-9-12-31-24(30-22)21(15-28-31)17-3-2-4-18(26)14-17/h2-6,9,12-15,20,27H,7-8,10-11H2,1H3,(H,29,32)
InChIKeyYWSQGDVPPCMLCH-UHFFFAOYSA-N
XLogP4.74
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 58628643) is 3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is Cc1cc(NC(=O)c2ccn3ncc(-c4cccc(Cl)c4)c3n2)ccc1OC1CCNCC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is YWSQGDVPPCMLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O2/c1-16-13-19(5-6-23(16)33-20-7-10-27-11-8-20)29-25(32)22-9-12-31-24(30-22)21(15-28-31)17-3-2-4-18(26)14-17/h2-6,9,12-15,20,27H,7-8,10-11H2,1H3,(H,29,32).
What are the key properties of 3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(3-methyl-4-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 58628643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).