N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H18ClN5O2 — CID 58056129

IUPACN-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC1CCNCC1)c1cnn2cccnc12
InChIInChI=1S/C18H18ClN5O2/c19-12-2-3-16(26-13-4-7-20-8-5-13)15(10-12)23-18(25)14-11-22-24-9-1-6-21-17(14)24/h1-3,6,9-11,13,20H,4-5,7-8H2,(H,23,25)
InChIKeyXIKQAWXSCGBFFT-UHFFFAOYSA-N
MW371.83 g/mol
LogP2.77
Rot. Bonds4

About N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 58056129) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID58056129
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC NameN-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1OC1CCNCC1)c1cnn2cccnc12
InChIInChI=1S/C18H18ClN5O2/c19-12-2-3-16(26-13-4-7-20-8-5-13)15(10-12)23-18(25)14-11-22-24-9-1-6-21-17(14)24/h1-3,6,9-11,13,20H,4-5,7-8H2,(H,23,25)
InChIKeyXIKQAWXSCGBFFT-UHFFFAOYSA-N
XLogP2.77
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 58056129) is N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1OC1CCNCC1)c1cnn2cccnc12.
What is the InChIKey of N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XIKQAWXSCGBFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c19-12-2-3-16(26-13-4-7-20-8-5-13)15(10-12)23-18(25)14-11-22-24-9-1-6-21-17(14)24/h1-3,6,9-11,13,20H,4-5,7-8H2,(H,23,25).
What are the key properties of N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-piperidin-4-yloxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 58056129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).