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

C22H20FN7O2 — CID 146592237

IUPAC7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-n4cnc(C)n4)c3F)cc12
InChIInChI=1S/C22H20FN7O2/c1-11-26-10-30(29-11)17-5-3-4-13(18(17)23)16-8-14-15(22(32)24-2)9-25-20(19(14)27-16)28-21(31)12-6-7-12/h3-5,8-10,12,27H,6-7H2,1-2H3,(H,24,32)(H,25,28,31)
InChIKeyNUVMKFKYZZFXDV-UHFFFAOYSA-N
MW433.45 g/mol
LogP2.97
Rot. Bonds5

About 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

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 (PubChem CID 146592237) has the molecular formula C22H20FN7O2 and a molecular weight of 433.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592237
Molecular FormulaC22H20FN7O2
Molecular Weight433.45 g/mol
Exact Mass433.17
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(3-methyl-1,2,4-triazol-1-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-n4cnc(C)n4)c3F)cc12
InChIInChI=1S/C22H20FN7O2/c1-11-26-10-30(29-11)17-5-3-4-13(18(17)23)16-8-14-15(22(32)24-2)9-25-20(19(14)27-16)28-21(31)12-6-7-12/h3-5,8-10,12,27H,6-7H2,1-2H3,(H,24,32)(H,25,28,31)
InChIKeyNUVMKFKYZZFXDV-UHFFFAOYSA-N
XLogP2.97
TPSA117.59 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.45
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(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)-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)-N-methyl-2-[3-(2-methyltetrazol-5-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592284
7-(cyclopropanecarbonylamino)-2-[5-(dimethylcarbamoyl)-3-fluoro-2-pyridinyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592225
7-(cyclopropanecarbonylamino)-N-methyl-2-[1-(1-methylpyrazol-4-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592235
methyl 2-[3-(azetidin-1-yl)-2-cyanophenyl]-7-(cyclopropanecarbonylamino)-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146635236
N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
CID 146634559
5-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(3-methyl-1,2,4-triazol-1-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175774164
2-(cyclopropanecarbonylamino)-N,4-dimethylpyrimidine-5-carboxamide
CID 177347100
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)anilino]-N-methylpyridine-3-carboxamide
CID 176564124

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(-n4cnc(C)n4)c3F)cc12.
What is the InChIKey of 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?
The InChIKey is NUVMKFKYZZFXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O2/c1-11-26-10-30(29-11)17-5-3-4-13(18(17)23)16-8-14-15(22(32)24-2)9-25-20(19(14)27-16)28-21(31)12-6-7-12/h3-5,8-10,12,27H,6-7H2,1-2H3,(H,24,32)(H,25,28,31).
What are the key properties of 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?
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 has a molecular weight of 433.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 146592237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).