N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

C30H35N5O2 — CID 46079558

IUPACN-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nc3cc(C(C)(C)C)nn23)c1
InChIInChI=1S/C30H35N5O2/c1-30(2,3)27-19-28-32-25(18-26(35(28)33-27)22-11-8-12-24(17-22)37-4)29(36)31-23-13-15-34(16-14-23)20-21-9-6-5-7-10-21/h5-12,17-19,23H,13-16,20H2,1-4H3,(H,31,36)
InChIKeyGZNJMZOZSFCIDW-UHFFFAOYSA-N
MW497.64 g/mol
LogP5.10
Rot. Bonds6

About N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 46079558) has the molecular formula C30H35N5O2 and a molecular weight of 497.64 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID46079558
Molecular FormulaC30H35N5O2
Molecular Weight497.64 g/mol
Exact Mass497.28
IUPAC NameN-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nc3cc(C(C)(C)C)nn23)c1
InChIInChI=1S/C30H35N5O2/c1-30(2,3)27-19-28-32-25(18-26(35(28)33-27)22-11-8-12-24(17-22)37-4)29(36)31-23-13-15-34(16-14-23)20-21-9-6-5-7-10-21/h5-12,17-19,23H,13-16,20H2,1-4H3,(H,31,36)
InChIKeyGZNJMZOZSFCIDW-UHFFFAOYSA-N
XLogP5.10
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.64
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylpiperazin-1-yl)-[2-tert-butyl-5-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]methanone
CID 46079983
2-tert-butyl-N-cyclohexyl-7-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 42877236
N-(1-benzylpiperidin-4-yl)-3-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3882518
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
N-(1-benzylpiperidin-4-yl)-3-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 110089253
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-1-benzofuran-2-carboxamide
CID 67943148
[2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 46170321
N-(1-benzylpiperidin-4-yl)-6-phenylpyridine-2-carboxamide
CID 117082142
7-(3-methoxyphenyl)-N-[(3S)-2-oxoazepan-3-yl]-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 93008975
N-cyclohexyl-1-ethyl-5-(3-methoxyphenyl)pyrazole-3-carboxamide
CID 46171136
N-(1-benzylpiperidin-4-yl)-1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 10310621
N-(1-benzylpiperidin-4-yl)-6-methylpyridine-2-carboxamide
CID 31926879

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 46079558) is N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is COc1cccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nc3cc(C(C)(C)C)nn23)c1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is GZNJMZOZSFCIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O2/c1-30(2,3)27-19-28-32-25(18-26(35(28)33-27)22-11-8-12-24(17-22)37-4)29(36)31-23-13-15-34(16-14-23)20-21-9-6-5-7-10-21/h5-12,17-19,23H,13-16,20H2,1-4H3,(H,31,36).
What are the key properties of N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 497.64 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2-tert-butyl-7-(3-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 46079558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).