propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate

C26H27N7O3 — CID 66546349

IUPACpropan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1cc2c(cn1)cc(-c1cnn(C)c1)n2C(=O)OC(C)C
InChIInChI=1S/C26H27N7O3/c1-16(2)36-26(34)33-22(20-13-29-32(4)15-20)8-18-11-27-25(10-23(18)33)30-21-7-6-17(9-24(21)35-5)19-12-28-31(3)14-19/h6-16H,1-5H3,(H,27,30)
InChIKeyVINOCKQOWRNHIU-UHFFFAOYSA-N
MW485.55 g/mol
LogP4.98
Rot. Bonds6

About propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate

propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate (PubChem CID 66546349) has the molecular formula C26H27N7O3 and a molecular weight of 485.55 g/mol. Its IUPAC name is propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
PubChem CID66546349
Molecular FormulaC26H27N7O3
Molecular Weight485.55 g/mol
Exact Mass485.22
IUPAC Namepropan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
SMILESCOc1cc(-c2cnn(C)c2)ccc1Nc1cc2c(cn1)cc(-c1cnn(C)c1)n2C(=O)OC(C)C
InChIInChI=1S/C26H27N7O3/c1-16(2)36-26(34)33-22(20-13-29-32(4)15-20)8-18-11-27-25(10-23(18)33)30-21-7-6-17(9-24(21)35-5)19-12-28-31(3)14-19/h6-16H,1-5H3,(H,27,30)
InChIKeyVINOCKQOWRNHIU-UHFFFAOYSA-N
XLogP4.98
TPSA101.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.55
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

propan-2-yl 6-[4-[(Z)-2-amino-1-[amino(methyl)amino]ethenyl]-2-methoxyanilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 139516124
tert-butyl 6-[2-methoxy-4-(morpholine-4-carbonyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66548457
tert-butyl 6-(2-acetylanilino)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66548459
2-[[2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]pyrido[3,4-d]pyrimidin-8-yl]amino]propanoic acid
CID 90004661
propan-2-yl 6-[2-chloro-4-(2,3-dimethylimidazol-4-yl)anilino]-2-(1,3-oxazol-5-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 66546348
6-[4-(1,3-dimethylpyrazol-4-yl)-2-methoxyanilino]-2-(1-methylpyrazol-4-yl)-3-propan-2-ylpyrrolo[3,2-c]pyridine-1-carboxylic acid
CID 118914215
6-(2-methoxyanilino)-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,2-c]pyridine-1-carboxylic acid
CID 118914248
methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate
CID 90468210
2-N-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]-8-N-(3-methylbutyl)pyrido[3,4-d]pyrimidine-2,8-diamine
CID 90001440
ethyl 6-bromo-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate
CID 86706316
N-[4-(2,3-dimethylimidazol-4-yl)-2-methoxyphenyl]-6-[1-(2-methylpropyl)pyrazol-4-yl]isoquinolin-3-amine
CID 134266284
8-cyclopentyl-2-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-6,6-dimethylpyrimido[5,4-b][1,4]oxazin-7-one
CID 174297090

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
The IUPAC name of propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate (CID 66546349) is propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate.
What is the SMILES notation for propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
The canonical SMILES for propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate is COc1cc(-c2cnn(C)c2)ccc1Nc1cc2c(cn1)cc(-c1cnn(C)c1)n2C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
The InChIKey is VINOCKQOWRNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3/c1-16(2)36-26(34)33-22(20-13-29-32(4)15-20)8-18-11-27-25(10-23(18)33)30-21-7-6-17(9-24(21)35-5)19-12-28-31(3)14-19/h6-16H,1-5H3,(H,27,30).
What are the key properties of propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate?
propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate has a molecular weight of 485.55 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-[2-methoxy-4-(1-methylpyrazol-4-yl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate is sourced from PubChem (CID 66546349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).