7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C21H20N8O2 — CID 146592284

IUPAC7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4nnn(C)n4)c3)cc12
InChIInChI=1S/C21H20N8O2/c1-22-21(31)15-10-23-19(25-20(30)11-6-7-11)17-14(15)9-16(24-17)12-4-3-5-13(8-12)18-26-28-29(2)27-18/h3-5,8-11,24H,6-7H2,1-2H3,(H,22,31)(H,23,25,30)
InChIKeyUOGPFUUTEVPPBT-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.13
Rot. Bonds5

About 7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592284) has the molecular formula C21H20N8O2 and a molecular weight of 416.45 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592284
Molecular FormulaC21H20N8O2
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4nnn(C)n4)c3)cc12
InChIInChI=1S/C21H20N8O2/c1-22-21(31)15-10-23-19(25-20(30)11-6-7-11)17-14(15)9-16(24-17)12-4-3-5-13(8-12)18-26-28-29(2)27-18/h3-5,8-11,24H,6-7H2,1-2H3,(H,22,31)(H,23,25,30)
InChIKeyUOGPFUUTEVPPBT-UHFFFAOYSA-N
XLogP2.13
TPSA130.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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
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)-N-methyl-2-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592235
7-(cyclopropanecarbonylamino)-N-methyl-2-[2-(4-oxopiperidin-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146634379
7-(cyclopropanecarbonylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592225
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592200
N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
CID 146634559
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
methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146635236
N-[8-(methylamino)-5-[3-(1-methyl-1,2,4-triazol-3-yl)phenyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626917
N-[5-(cyclopropanecarbonyl)-4-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-pyridinyl]cyclopropanecarboxamide;methane
CID 161137415
7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide
CID 157054464

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592284) is 7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-c4nnn(C)n4)c3)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is UOGPFUUTEVPPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O2/c1-22-21(31)15-10-23-19(25-20(30)11-6-7-11)17-14(15)9-16(24-17)12-4-3-5-13(8-12)18-26-28-29(2)27-18/h3-5,8-11,24H,6-7H2,1-2H3,(H,22,31)(H,23,25,30).
What are the key properties of 7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 416.45 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).