N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide

C36H36Cl2N10O4 — CID 157080179

IUPACN-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn2cc(O)cnc12.O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn2cc(O)cnc12
InChIInChI=1S/2C18H18ClN5O2/c2*19-12-4-5-16(23-6-2-1-3-7-23)15(8-12)22-18(26)14-10-21-24-11-13(25)9-20-17(14)24/h2*4-5,8-11,25H,1-3,6-7H2,(H,22,26)
InChIKeyADLIAPGCUKZBDG-UHFFFAOYSA-N
MW743.66 g/mol
LogP6.66
Rot. Bonds6

About N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 157080179) has the molecular formula C36H36Cl2N10O4 and a molecular weight of 743.66 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID157080179
Molecular FormulaC36H36Cl2N10O4
Molecular Weight743.66 g/mol
Exact Mass742.23
IUPAC NameN-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn2cc(O)cnc12.O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn2cc(O)cnc12
InChIInChI=1S/2C18H18ClN5O2/c2*19-12-4-5-16(23-6-2-1-3-7-23)15(8-12)22-18(26)14-10-21-24-11-13(25)9-20-17(14)24/h2*4-5,8-11,25H,1-3,6-7H2,(H,22,26)
InChIKeyADLIAPGCUKZBDG-UHFFFAOYSA-N
XLogP6.66
TPSA165.52 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500743.66
LogP ≤ 56.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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Related Compounds

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N-(5-chloro-2-piperidin-1-ylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
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N-[2-[4-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-5-chlorophenyl]-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66665387
N-(5-chloro-2-piperidin-1-ylphenyl)pyridine-4-carboxamide
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2,4-dichloro-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 157080179) is N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn2cc(O)cnc12.O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cnn2cc(O)cnc12.
What is the InChIKey of N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is ADLIAPGCUKZBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H18ClN5O2/c2*19-12-4-5-16(23-6-2-1-3-7-23)15(8-12)22-18(26)14-10-21-24-11-13(25)9-20-17(14)24/h2*4-5,8-11,25H,1-3,6-7H2,(H,22,26).
What are the key properties of N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 743.66 g/mol, XLogP of 6.66, 6 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-1-ylphenyl)-6-hydroxypyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 157080179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).