3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide

C24H23N7O3 — CID 168850020

IUPAC3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N(C)c4ccccc4)cc3)c2C(N)=O)ccn1
InChIInChI=1S/C24H23N7O3/c1-31(18-6-4-3-5-7-18)24(33)28-16-10-8-15(9-11-16)21-20(22(25)32)23(30-29-21)27-17-12-13-26-19(14-17)34-2/h3-14H,1-2H3,(H2,25,32)(H,28,33)(H2,26,27,29,30)
InChIKeyAUQCDWNMWQMUQL-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.99
Rot. Bonds7

About 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide

3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide (PubChem CID 168850020) has the molecular formula C24H23N7O3 and a molecular weight of 457.49 g/mol. Its IUPAC name is 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide
PubChem CID168850020
Molecular FormulaC24H23N7O3
Molecular Weight457.49 g/mol
Exact Mass457.19
IUPAC Name3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide
SMILESCOc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N(C)c4ccccc4)cc3)c2C(N)=O)ccn1
InChIInChI=1S/C24H23N7O3/c1-31(18-6-4-3-5-7-18)24(33)28-16-10-8-15(9-11-16)21-20(22(25)32)23(30-29-21)27-17-12-13-26-19(14-17)34-2/h3-14H,1-2H3,(H2,25,32)(H,28,33)(H2,26,27,29,30)
InChIKeyAUQCDWNMWQMUQL-UHFFFAOYSA-N
XLogP3.99
TPSA138.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[[benzyl(methyl)carbamoyl]amino]phenyl]-3-[(2-methoxy-4-pyridinyl)amino]-1H-pyrazole-4-carboxamide
CID 168849969
3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 168849914
3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 168849988
3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 168849984
N-[4-[4-carbamoyl-3-[(2-methoxy-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-7-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 168849960
2-methoxy-4-[[methyl(phenyl)carbamoyl]amino]benzamide
CID 91393388
5-(4-aminophenyl)-3-(pyridin-2-ylamino)-1H-pyrazole-4-carboxamide
CID 170044357
3-(4-aminophenyl)-1-methyl-1-phenylurea
CID 43468906
3-(2-chloro-4-pyridinyl)-1-methyl-1-phenylurea
CID 134114152
3-(pyridin-2-ylamino)-5-[4-[[4-(trifluoromethoxy)phenyl]carbamoylamino]phenyl]-1H-pyrazole-4-carboxamide
CID 168849961
1-methyl-3-[2-(oxolan-3-yloxy)-4-pyridinyl]-1-phenylurea
CID 138004617
N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide
CID 168849923

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide (CID 168850020) is 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide is COc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N(C)c4ccccc4)cc3)c2C(N)=O)ccn1.
What is the InChIKey of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide?
The InChIKey is AUQCDWNMWQMUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3/c1-31(18-6-4-3-5-7-18)24(33)28-16-10-8-15(9-11-16)21-20(22(25)32)23(30-29-21)27-17-12-13-26-19(14-17)34-2/h3-14H,1-2H3,(H2,25,32)(H,28,33)(H2,26,27,29,30).
What are the key properties of 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide?
3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 3.99, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[methyl(phenyl)carbamoyl]amino]phenyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 168850020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).