methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

C23H21N5O3 — CID 146635236

IUPACmethyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(N4CCC4)c3C#N)cc12
InChIInChI=1S/C23H21N5O3/c1-31-23(30)17-12-25-21(27-22(29)13-6-7-13)20-15(17)10-18(26-20)14-4-2-5-19(16(14)11-24)28-8-3-9-28/h2,4-5,10,12-13,26H,3,6-9H2,1H3,(H,25,27,29)
InChIKeyVEHYPWWADLUGHW-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.45
Rot. Bonds5

About methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate

methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 146635236) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
PubChem CID146635236
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC Namemethyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
SMILESCOC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(N4CCC4)c3C#N)cc12
InChIInChI=1S/C23H21N5O3/c1-31-23(30)17-12-25-21(27-22(29)13-6-7-13)20-15(17)10-18(26-20)14-4-2-5-19(16(14)11-24)28-8-3-9-28/h2,4-5,10,12-13,26H,3,6-9H2,1H3,(H,25,27,29)
InChIKeyVEHYPWWADLUGHW-UHFFFAOYSA-N
XLogP3.45
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-(cyclopropanecarbonylamino)-N-methyl-2-[2-(4-oxopiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146634379
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592237
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592200
7-(cyclopropanecarbonylamino)-2-[3-(6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592193
7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592284
7-(cyclopropanecarbonylamino)-2-[3-(1,5-dimethyl-1,2,4-triazol-3-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592251
methyl 2-cyano-5-pyrrolidin-1-ylpyridine-4-carboxylate
CID 118695826
7-(cyclopropanecarbonylamino)-N-methyl-2-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592235
methyl 1-(cyclopropanecarbonylamino)-9H-pyrido[3,4-b]indole-7-carboxylate
CID 163408833
methyl 2-(azetidin-1-yl)benzoate
CID 131095388
N-[2-[2-[(2S)-1,4-dioxan-2-yl]-4-methoxyphenyl]-4-[hydroxy(methylamino)methyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
CID 146635162
methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate
CID 15998604

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate (CID 146635236) is methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(N4CCC4)c3C#N)cc12.
What is the InChIKey of methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
The InChIKey is VEHYPWWADLUGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-31-23(30)17-12-25-21(27-22(29)13-6-7-13)20-15(17)10-18(26-20)14-4-2-5-19(16(14)11-24)28-8-3-9-28/h2,4-5,10,12-13,26H,3,6-9H2,1H3,(H,25,27,29).
What are the key properties of methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate?
methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 415.45 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 146635236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).