7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H26BrN7O — CID 19468479

IUPAC7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)Nc4ccc(CN5CCCCC5)cc4)nn23)n1
InChIInChI=1S/C24H26BrN7O/c1-2-31-16-19(25)23(29-31)21-10-11-26-22-14-20(28-32(21)22)24(33)27-18-8-6-17(7-9-18)15-30-12-4-3-5-13-30/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,27,33)
InChIKeyXJGOBASIDNJRSP-UHFFFAOYSA-N
MW508.42 g/mol
LogP4.61
Rot. Bonds6

About 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19468479) has the molecular formula C24H26BrN7O and a molecular weight of 508.42 g/mol. Its IUPAC name is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19468479
Molecular FormulaC24H26BrN7O
Molecular Weight508.42 g/mol
Exact Mass507.14
IUPAC Name7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCn1cc(Br)c(-c2ccnc3cc(C(=O)Nc4ccc(CN5CCCCC5)cc4)nn23)n1
InChIInChI=1S/C24H26BrN7O/c1-2-31-16-19(25)23(29-31)21-10-11-26-22-14-20(28-32(21)22)24(33)27-18-8-6-17(7-9-18)15-30-12-4-3-5-13-30/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,27,33)
InChIKeyXJGOBASIDNJRSP-UHFFFAOYSA-N
XLogP4.61
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19468479) is 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCn1cc(Br)c(-c2ccnc3cc(C(=O)Nc4ccc(CN5CCCCC5)cc4)nn23)n1.
What is the InChIKey of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XJGOBASIDNJRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26BrN7O/c1-2-31-16-19(25)23(29-31)21-10-11-26-22-14-20(28-32(21)22)24(33)27-18-8-6-17(7-9-18)15-30-12-4-3-5-13-30/h6-11,14,16H,2-5,12-13,15H2,1H3,(H,27,33).
What are the key properties of 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 508.42 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-1-ethylpyrazol-3-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19468479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).