[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate

C21H23ClN6O4 — CID 140550545

IUPAC[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate
SMILESCONC(=O)c1cccc(OC=O)c1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl
InChIInChI=1S/C21H23ClN6O4/c1-12(2)28-19(8-13(3)26-28)25-18-9-16(15(22)10-23-18)24-20-14(21(30)27-31-4)6-5-7-17(20)32-11-29/h5-12H,1-4H3,(H,27,30)(H2,23,24,25)
InChIKeyFIGYOWVVZQJMIS-UHFFFAOYSA-N
MW458.91 g/mol
LogP4.13
Rot. Bonds9

About [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate

[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate (PubChem CID 140550545) has the molecular formula C21H23ClN6O4 and a molecular weight of 458.91 g/mol. Its IUPAC name is [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate.

Molecular Properties

Compound Name[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate
PubChem CID140550545
Molecular FormulaC21H23ClN6O4
Molecular Weight458.91 g/mol
Exact Mass458.15
IUPAC Name[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate
SMILESCONC(=O)c1cccc(OC=O)c1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl
InChIInChI=1S/C21H23ClN6O4/c1-12(2)28-19(8-13(3)26-28)25-18-9-16(15(22)10-23-18)24-20-14(21(30)27-31-4)6-5-7-17(20)32-11-29/h5-12H,1-4H3,(H,27,30)(H2,23,24,25)
InChIKeyFIGYOWVVZQJMIS-UHFFFAOYSA-N
XLogP4.13
TPSA119.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.91
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-chloro-2-[(2-ethyl-5-methylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-fluoro-N-methoxybenzamide
CID 54588991
[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]phenyl]methanol
CID 147961652
2-[[5-chloro-2-[(1,4-dimethylpyrrol-2-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 135163292
2-[[5-chloro-2-[[4-methyl-1-(2-methylpropyl)pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 46215100
2-[[5-chloro-2-[(2,5-dimethylpyrazol-3-yl)amino]-4-pyridinyl]amino]-4-fluoro-N-methylbenzamide
CID 58497347
2-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-5-(trifluoromethyl)-4-pyridinyl]amino]-3-methylbenzamide
CID 66992529
3-chloro-1-(3-chloro-2-pyridinyl)-N-[2-(methoxycarbamoyl)-6-methylphenyl]pyrazole-5-carboxamide
CID 141260277
3-chloro-N-methoxy-2-methylbenzamide
CID 107097630
4-chloro-N-(5-methyl-2-propan-2-ylpyrazol-3-yl)benzamide
CID 45284687
N-(4,5-dichloro-2-pyridinyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 71987142
N-methoxy-4-[2-[methyl(methylsulfanyl)amino]anilino]-6-[(6-methyl-2-pyridinyl)amino]pyridine-3-carboxamide
CID 167101481
N-(2,5-dimethylpyrazol-3-yl)-2,3-dimethoxybenzamide
CID 35291192

Frequently Asked Questions

What is the IUPAC name of [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate?
The IUPAC name of [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate (CID 140550545) is [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate.
What is the SMILES notation for [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate?
The canonical SMILES for [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate is CONC(=O)c1cccc(OC=O)c1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl.
What is the InChIKey of [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate?
The InChIKey is FIGYOWVVZQJMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN6O4/c1-12(2)28-19(8-13(3)26-28)25-18-9-16(15(22)10-23-18)24-20-14(21(30)27-31-4)6-5-7-17(20)32-11-29/h5-12H,1-4H3,(H,27,30)(H2,23,24,25).
What are the key properties of [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate?
[2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate has a molecular weight of 458.91 g/mol, XLogP of 4.13, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]-4-pyridinyl]amino]-3-(methoxycarbamoyl)phenyl] formate is sourced from PubChem (CID 140550545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).