6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

C32H29N9O — CID 25189614

IUPAC6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1cc2nc(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1
InChIInChI=1S/C32H29N9O/c33-30(42)27-18-28-35-29(25(20-41(28)39-27)22-6-2-1-3-7-22)23-11-9-21(10-12-23)19-40-16-13-24(14-17-40)31-36-32(38-37-31)26-8-4-5-15-34-26/h1-12,15,18,20,24H,13-14,16-17,19H2,(H2,33,42)(H,36,37,38)
InChIKeyNFUHAGHOUWDILI-UHFFFAOYSA-N
MW555.65 g/mol
LogP4.72
Rot. Bonds7

About 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 25189614) has the molecular formula C32H29N9O and a molecular weight of 555.65 g/mol. Its IUPAC name is 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID25189614
Molecular FormulaC32H29N9O
Molecular Weight555.65 g/mol
Exact Mass555.25
IUPAC Name6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESNC(=O)c1cc2nc(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1
InChIInChI=1S/C32H29N9O/c33-30(42)27-18-28-35-29(25(20-41(28)39-27)22-6-2-1-3-7-22)23-11-9-21(10-12-23)19-40-16-13-24(14-17-40)31-36-32(38-37-31)26-8-4-5-15-34-26/h1-12,15,18,20,24H,13-14,16-17,19H2,(H2,33,42)(H,36,37,38)
InChIKeyNFUHAGHOUWDILI-UHFFFAOYSA-N
XLogP4.72
TPSA130.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.65
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 25189614) is 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is NC(=O)c1cc2nc(-c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)c(-c3ccccc3)cn2n1.
What is the InChIKey of 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NFUHAGHOUWDILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29N9O/c33-30(42)27-18-28-35-29(25(20-41(28)39-27)22-6-2-1-3-7-22)23-11-9-21(10-12-23)19-40-16-13-24(14-17-40)31-36-32(38-37-31)26-8-4-5-15-34-26/h1-12,15,18,20,24H,13-14,16-17,19H2,(H2,33,42)(H,36,37,38).
What are the key properties of 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide?
6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 555.65 g/mol, XLogP of 4.72, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 25189614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).