7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C24H25FN4O4 — CID 146592200

IUPAC7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(OC4CCOCC4)c3F)cc12
InChIInChI=1S/C24H25FN4O4/c1-26-24(31)17-12-27-22(29-23(30)13-5-6-13)21-16(17)11-18(28-21)15-3-2-4-19(20(15)25)33-14-7-9-32-10-8-14/h2-4,11-14,28H,5-10H2,1H3,(H,26,31)(H,27,29,30)
InChIKeyBUIYHQVIXSTIPJ-UHFFFAOYSA-N
MW452.49 g/mol
LogP3.63
Rot. Bonds6

About 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592200) has the molecular formula C24H25FN4O4 and a molecular weight of 452.49 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592200
Molecular FormulaC24H25FN4O4
Molecular Weight452.49 g/mol
Exact Mass452.19
IUPAC Name7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(OC4CCOCC4)c3F)cc12
InChIInChI=1S/C24H25FN4O4/c1-26-24(31)17-12-27-22(29-23(30)13-5-6-13)21-16(17)11-18(28-21)15-3-2-4-19(20(15)25)33-14-7-9-32-10-8-14/h2-4,11-14,28H,5-10H2,1H3,(H,26,31)(H,27,29,30)
InChIKeyBUIYHQVIXSTIPJ-UHFFFAOYSA-N
XLogP3.63
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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-[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 7-(dibenzylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate
CID 146635215
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)-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
7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 146634949
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-[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
N-[4-(methylaminomethyl)-2-[3-(1,2,4-triazol-4-yl)phenyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]cyclopropanecarboxamide
CID 146634559

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592200) is 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3cccc(OC4CCOCC4)c3F)cc12.
What is the InChIKey of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is BUIYHQVIXSTIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O4/c1-26-24(31)17-12-27-22(29-23(30)13-5-6-13)21-16(17)11-18(28-21)15-3-2-4-19(20(15)25)33-14-7-9-32-10-8-14/h2-4,11-14,28H,5-10H2,1H3,(H,26,31)(H,27,29,30).
What are the key properties of 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 3.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropanecarbonylamino)-2-[2-fluoro-3-(oxan-4-yloxy)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).