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

C24H24FN5O3 — CID 146592212

IUPAC7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(C4=NC(C)(C)CO4)c3F)cc12
InChIInChI=1S/C24H24FN5O3/c1-24(2)11-33-23(30-24)14-6-4-5-13(18(14)25)17-9-15-16(22(32)26-3)10-27-20(19(15)28-17)29-21(31)12-7-8-12/h4-6,9-10,12,28H,7-8,11H2,1-3H3,(H,26,32)(H,27,29,31)
InChIKeyFEWXJODRDPGNLJ-UHFFFAOYSA-N
MW449.49 g/mol
LogP3.63
Rot. Bonds5

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

7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592212) has the molecular formula C24H24FN5O3 and a molecular weight of 449.49 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592212
Molecular FormulaC24H24FN5O3
Molecular Weight449.49 g/mol
Exact Mass449.19
IUPAC Name7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(C4=NC(C)(C)CO4)c3F)cc12
InChIInChI=1S/C24H24FN5O3/c1-24(2)11-33-23(30-24)14-6-4-5-13(18(14)25)17-9-15-16(22(32)26-3)10-27-20(19(15)28-17)29-21(31)12-7-8-12/h4-6,9-10,12,28H,7-8,11H2,1-3H3,(H,26,32)(H,27,29,31)
InChIKeyFEWXJODRDPGNLJ-UHFFFAOYSA-N
XLogP3.63
TPSA108.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.49
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminopyrimidin-4-yl)-7-[3-(benzyloxy)propyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridin-4-one
CID 25190895
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592192
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-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592194
7-(cyclopropanecarbonylamino)-2-(2-fluoro-4-pyrazin-2-ylphenyl)-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592196
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-(8,8-dimethyl-5,6-dihydroimidazo[2,1-c][1,4]oxazin-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592203
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(1-methylimidazol-4-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592213
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-(1,3-oxazol-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592241
7-(cyclopropanecarbonylamino)-2-[2-fluoro-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592248
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146592252

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592212) is 7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(C4=NC(C)(C)CO4)c3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is FEWXJODRDPGNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3/c1-24(2)11-33-23(30-24)14-6-4-5-13(18(14)25)17-9-15-16(22(32)26-3)10-27-20(19(15)28-17)29-21(31)12-7-8-12/h4-6,9-10,12,28H,7-8,11H2,1-3H3,(H,26,32)(H,27,29,31).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 449.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-2-fluorophenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).