1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

C29H33N5O2 — CID 50797278

IUPAC1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2cc3c(N4CCC(C(=O)NCc5ccc(C(C)C)cc5)CC4)nccn3n2)c1
InChIInChI=1S/C29H33N5O2/c1-20(2)22-9-7-21(8-10-22)19-31-29(35)23-11-14-33(15-12-23)28-27-18-26(32-34(27)16-13-30-28)24-5-4-6-25(17-24)36-3/h4-10,13,16-18,20,23H,11-12,14-15,19H2,1-3H3,(H,31,35)
InChIKeyVADKKISHXPQGIR-UHFFFAOYSA-N
MW483.62 g/mol
LogP5.06
Rot. Bonds7

About 1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide

1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 50797278) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
PubChem CID50797278
Molecular FormulaC29H33N5O2
Molecular Weight483.62 g/mol
Exact Mass483.26
IUPAC Name1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1cccc(-c2cc3c(N4CCC(C(=O)NCc5ccc(C(C)C)cc5)CC4)nccn3n2)c1
InChIInChI=1S/C29H33N5O2/c1-20(2)22-9-7-21(8-10-22)19-31-29(35)23-11-14-33(15-12-23)28-27-18-26(32-34(27)16-13-30-28)24-5-4-6-25(17-24)36-3/h4-10,13,16-18,20,23H,11-12,14-15,19H2,1-3H3,(H,31,35)
InChIKeyVADKKISHXPQGIR-UHFFFAOYSA-N
XLogP5.06
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.62
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,5-difluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797420
(3R)-N-[(4-fluorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 92892125
1-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20962102
N-[(4-methoxyphenyl)methyl]-1-(2-thiophen-2-ylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
CID 53086068
(3R)-N-[(2-chlorophenyl)methyl]-1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxamide
CID 92892131
N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797333
(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 92892068
N-[(3-chloro-4-fluorophenyl)methyl]-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797416
1-[2-(2,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53086001
1-(6-phenylpyrimidin-4-yl)-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide
CID 53062051
(3S)-1-[2-(3-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92892088
N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
CID 50797136

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 50797278) is 1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is COc1cccc(-c2cc3c(N4CCC(C(=O)NCc5ccc(C(C)C)cc5)CC4)nccn3n2)c1.
What is the InChIKey of 1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is VADKKISHXPQGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-20(2)22-9-7-21(8-10-22)19-31-29(35)23-11-14-33(15-12-23)28-27-18-26(32-34(27)16-13-30-28)24-5-4-6-25(17-24)36-3/h4-10,13,16-18,20,23H,11-12,14-15,19H2,1-3H3,(H,31,35).
What are the key properties of 1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide?
1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 483.62 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50797278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).