N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide

C26H27N5O2 — CID 50797067

IUPACN-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccccc5)cc34)CC2)cc1
InChIInChI=1S/C26H27N5O2/c1-33-22-9-7-19(8-10-22)18-28-26(32)21-11-14-30(15-12-21)25-24-17-23(20-5-3-2-4-6-20)29-31(24)16-13-27-25/h2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,28,32)
InChIKeyOTFJOOBOUYOBEB-UHFFFAOYSA-N
MW441.54 g/mol
LogP3.94
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide

N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (PubChem CID 50797067) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
PubChem CID50797067
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC NameN-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccccc5)cc34)CC2)cc1
InChIInChI=1S/C26H27N5O2/c1-33-22-9-7-19(8-10-22)18-28-26(32)21-11-14-30(15-12-21)25-24-17-23(20-5-3-2-4-6-20)29-31(24)16-13-27-25/h2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,28,32)
InChIKeyOTFJOOBOUYOBEB-UHFFFAOYSA-N
XLogP3.94
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide (CID 50797067) is N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(c3nccn4nc(-c5ccccc5)cc34)CC2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
The InChIKey is OTFJOOBOUYOBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-33-22-9-7-19(8-10-22)18-28-26(32)21-11-14-30(15-12-21)25-24-17-23(20-5-3-2-4-6-20)29-31(24)16-13-27-25/h2-10,13,16-17,21H,11-12,14-15,18H2,1H3,(H,28,32).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide?
N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide has a molecular weight of 441.54 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 50797067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).