N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide

C24H23N7O3 — CID 53318345

IUPACN-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide
SMILESCOc1ccc(Cn2ncc(NC(=O)c3ccc(NC(=O)c4cnccn4)cc3C)c2N)cc1
InChIInChI=1S/C24H23N7O3/c1-15-11-17(29-24(33)21-12-26-9-10-27-21)5-8-19(15)23(32)30-20-13-28-31(22(20)25)14-16-3-6-18(34-2)7-4-16/h3-13H,14,25H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyYVBRBKKYGXRBBQ-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.13
Rot. Bonds7

About N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide

N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide (PubChem CID 53318345) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide
PubChem CID53318345
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC NameN-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide
SMILESCOc1ccc(Cn2ncc(NC(=O)c3ccc(NC(=O)c4cnccn4)cc3C)c2N)cc1
InChIInChI=1S/C24H23N7O3/c1-15-11-17(29-24(33)21-12-26-9-10-27-21)5-8-19(15)23(32)30-20-13-28-31(22(20)25)14-16-3-6-18(34-2)7-4-16/h3-13H,14,25H2,1-2H3,(H,29,33)(H,30,32)
InChIKeyYVBRBKKYGXRBBQ-UHFFFAOYSA-N
XLogP3.13
TPSA137.05 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2512205
N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-2-methyl-5-(3-(trifluoromethyl)benzamido)benzamide
CID 52939107
N-(5-Amino-1-(4-methoxybenzyl)-1H-pyrazol-4-yl)-2-methyl-5-(3-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)benzamido)benzamide
CID 53317057
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-methoxyphenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720148
6-Methoxy-N-{2-[2-(4-methoxyphenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}pyridine-3-carboxamide
CID 91892690
4-[3-amino-6-(1-methylpyrazol-4-yl)pyrazin-2-yl]oxy-N-phenylbenzamide
CID 156019489
N-[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]-2-methyl-4-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]carbamoylamino]benzamide
CID 53326816
2-(4-Fluorophenylamino)-N-((1-(4-methoxybenzyl)-1H-1,2,3-triazol-4-yl)methyl) nicotinamide
CID 90681008
5-[(5-aminopyrazin-2-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 137297216
5-[(3-aminopyrazin-2-yl)amino]-6-(4-methoxyphenyl)-2,3-diphenyl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 137297363
4-methoxy-N-[2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24791635
4-methoxy-N-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 24794162

Frequently Asked Questions

What is the IUPAC name of N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide (CID 53318345) is N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide is COc1ccc(Cn2ncc(NC(=O)c3ccc(NC(=O)c4cnccn4)cc3C)c2N)cc1.
What is the InChIKey of N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide?
The InChIKey is YVBRBKKYGXRBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-15-11-17(29-24(33)21-12-26-9-10-27-21)5-8-19(15)23(32)30-20-13-28-31(22(20)25)14-16-3-6-18(34-2)7-4-16/h3-13H,14,25H2,1-2H3,(H,29,33)(H,30,32).
What are the key properties of N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide?
N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[5-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]-3-methylphenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 53318345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).