methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate

C20H19N5O2 — CID 90468210

IUPACmethyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C)cc1
InChIInChI=1S/C20H19N5O2/c1-24-12-15(11-22-24)17-8-14-10-21-19(9-18(14)25(17)2)23-16-6-4-13(5-7-16)20(26)27-3/h4-12H,1-3H3,(H,21,23)
InChIKeyPFAXLPRBCAOLFZ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.50
Rot. Bonds4

About methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate

methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate (PubChem CID 90468210) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate
PubChem CID90468210
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Namemethyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C)cc1
InChIInChI=1S/C20H19N5O2/c1-24-12-15(11-22-24)17-8-14-10-21-19(9-18(14)25(17)2)23-16-6-4-13(5-7-16)20(26)27-3/h4-12H,1-3H3,(H,21,23)
InChIKeyPFAXLPRBCAOLFZ-UHFFFAOYSA-N
XLogP3.50
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate with MolForge

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Related Compounds

1-methyl-2-(1-methylpyrazol-4-yl)-N-pyridin-3-ylpyrrolo[3,2-c]pyridin-6-amine
CID 90468214
methyl 4-[[6-(4-methoxycarbonylanilino)pyrimidin-4-yl]amino]benzoate
CID 112866836
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
4-[[2-(3-fluorophenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]amino]phenol
CID 90468390
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
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
3-chloro-4-[[1-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]-N,N-dimethylbenzamide
CID 66547932
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
methyl 3-[(2-methyl-4-pyridinyl)amino]isoquinoline-6-carboxylate
CID 86712026
methyl 4-(5,6,7,8-tetrahydro-2,6-naphthyridin-3-ylamino)benzoate
CID 170324606
methyl 4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 112877116

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate?
The IUPAC name of methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate (CID 90468210) is methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate is COC(=O)c1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C)cc1.
What is the InChIKey of methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate?
The InChIKey is PFAXLPRBCAOLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-24-12-15(11-22-24)17-8-14-10-21-19(9-18(14)25(17)2)23-16-6-4-13(5-7-16)20(26)27-3/h4-12H,1-3H3,(H,21,23).
What are the key properties of methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate?
methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate has a molecular weight of 361.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-6-yl]amino]benzoate is sourced from PubChem (CID 90468210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).