[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate

C19H17Cl2N5O3 — CID 71914786

IUPAC[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate
SMILESCC(OC(=O)c1cccc(Nc2cnn(C)c2)c1)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N5O3/c1-11(18(27)25-17-16(21)7-13(20)8-22-17)29-19(28)12-4-3-5-14(6-12)24-15-9-23-26(2)10-15/h3-11,24H,1-2H3,(H,22,25,27)
InChIKeyLGWVHIMXXPKYDK-UHFFFAOYSA-N
MW434.28 g/mol
LogP4.05
Rot. Bonds6

About [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate

[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate (PubChem CID 71914786) has the molecular formula C19H17Cl2N5O3 and a molecular weight of 434.28 g/mol. Its IUPAC name is [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate.

Molecular Properties

Compound Name[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate
PubChem CID71914786
Molecular FormulaC19H17Cl2N5O3
Molecular Weight434.28 g/mol
Exact Mass433.07
IUPAC Name[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate
SMILESCC(OC(=O)c1cccc(Nc2cnn(C)c2)c1)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N5O3/c1-11(18(27)25-17-16(21)7-13(20)8-22-17)29-19(28)12-4-3-5-14(6-12)24-15-9-23-26(2)10-15/h3-11,24H,1-2H3,(H,22,25,27)
InChIKeyLGWVHIMXXPKYDK-UHFFFAOYSA-N
XLogP4.05
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate with MolForge

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Related Compounds

[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 97065428
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-fluorobenzoate
CID 16524070
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 40985004
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate
CID 2648538
1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71906087
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 1,3-benzodioxole-5-carboxylate
CID 4540567
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 4026490
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624812
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513518
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7814807
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methoxybenzoate
CID 2510423
[1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-1-oxopropan-2-yl] 1-methylpyrazole-4-carboxylate
CID 42894992

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate?
The IUPAC name of [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate (CID 71914786) is [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate.
What is the SMILES notation for [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate?
The canonical SMILES for [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate is CC(OC(=O)c1cccc(Nc2cnn(C)c2)c1)C(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate?
The InChIKey is LGWVHIMXXPKYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O3/c1-11(18(27)25-17-16(21)7-13(20)8-22-17)29-19(28)12-4-3-5-14(6-12)24-15-9-23-26(2)10-15/h3-11,24H,1-2H3,(H,22,25,27).
What are the key properties of [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate?
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate has a molecular weight of 434.28 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-[(1-methylpyrazol-4-yl)amino]benzoate is sourced from PubChem (CID 71914786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).