N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide

C27H26N6O2 — CID 134475066

IUPACN-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
SMILESCN1CCn2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)cc4)c3)cc2C1
InChIInChI=1S/C27H26N6O2/c1-32-13-14-33-24(18-32)16-25(31-33)30-27(35)23-4-2-3-19(15-23)17-29-26(34)22-7-5-20(6-8-22)21-9-11-28-12-10-21/h2-12,15-16H,13-14,17-18H2,1H3,(H,29,34)(H,30,31,35)
InChIKeyQYGFMWMXWCEAQQ-UHFFFAOYSA-N
MW466.55 g/mol
LogP3.57
Rot. Bonds6

About N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide

N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide (PubChem CID 134475066) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
PubChem CID134475066
Molecular FormulaC27H26N6O2
Molecular Weight466.55 g/mol
Exact Mass466.21
IUPAC NameN-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide
SMILESCN1CCn2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)cc4)c3)cc2C1
InChIInChI=1S/C27H26N6O2/c1-32-13-14-33-24(18-32)16-25(31-33)30-27(35)23-4-2-3-19(15-23)17-29-26(34)22-7-5-20(6-8-22)21-9-11-28-12-10-21/h2-12,15-16H,13-14,17-18H2,1H3,(H,29,34)(H,30,31,35)
InChIKeyQYGFMWMXWCEAQQ-UHFFFAOYSA-N
XLogP3.57
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The IUPAC name of N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide (CID 134475066) is N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide.
What is the SMILES notation for N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The canonical SMILES for N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide is CN1CCn2nc(NC(=O)c3cccc(CNC(=O)c4ccc(-c5ccncc5)cc4)c3)cc2C1.
What is the InChIKey of N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
The InChIKey is QYGFMWMXWCEAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-32-13-14-33-24(18-32)16-25(31-33)30-27(35)23-4-2-3-19(15-23)17-29-26(34)22-7-5-20(6-8-22)21-9-11-28-12-10-21/h2-12,15-16H,13-14,17-18H2,1H3,(H,29,34)(H,30,31,35).
What are the key properties of N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide?
N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide has a molecular weight of 466.55 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)-3-[[(4-pyridin-4-ylbenzoyl)amino]methyl]benzamide is sourced from PubChem (CID 134475066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).