N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H16ClN7O — CID 4863085

IUPACN-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(-c2ccnc3cc(C(=O)Nc4ccc(Cl)cn4)nn23)c(C)n1
InChIInChI=1S/C18H16ClN7O/c1-3-25-10-13(11(2)23-25)15-6-7-20-17-8-14(24-26(15)17)18(27)22-16-5-4-12(19)9-21-16/h4-10H,3H2,1-2H3,(H,21,22,27)
InChIKeyXVIAHMYILSKNLV-UHFFFAOYSA-N
MW381.83 g/mol
LogP3.22
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4863085) has the molecular formula C18H16ClN7O and a molecular weight of 381.83 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4863085
Molecular FormulaC18H16ClN7O
Molecular Weight381.83 g/mol
Exact Mass381.11
IUPAC NameN-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(-c2ccnc3cc(C(=O)Nc4ccc(Cl)cn4)nn23)c(C)n1
InChIInChI=1S/C18H16ClN7O/c1-3-25-10-13(11(2)23-25)15-6-7-20-17-8-14(24-26(15)17)18(27)22-16-5-4-12(19)9-21-16/h4-10H,3H2,1-2H3,(H,21,22,27)
InChIKeyXVIAHMYILSKNLV-UHFFFAOYSA-N
XLogP3.22
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.83
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4863085) is N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(-c2ccnc3cc(C(=O)Nc4ccc(Cl)cn4)nn23)c(C)n1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XVIAHMYILSKNLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7O/c1-3-25-10-13(11(2)23-25)15-6-7-20-17-8-14(24-26(15)17)18(27)22-16-5-4-12(19)9-21-16/h4-10H,3H2,1-2H3,(H,21,22,27).
What are the key properties of N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 381.83 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-7-(1-ethyl-3-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4863085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).