5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

About 5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 142971298) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is 5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name	5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID	142971298
Molecular Formula	C21H17FN4O2
Molecular Weight	376.39 g/mol
Exact Mass	376.13
IUPAC Name	5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILES	N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(O)=C3CC3)[nH]c2cn1
InChI	InChI=1S/C21H17FN4O2/c22-15-5-1-12(2-6-15)7-17(20(27)13-3-4-13)26-21(28)18-9-14-8-16(10-23)24-11-19(14)25-18/h1-2,5-6,8-9,11,17,25,27H,3-4,7H2,(H,26,28)/t17-/m0/s1
InChIKey	OWRCGCKKHUEHJG-KRWDZBQOSA-N
XLogP	3.52
TPSA	101.80 Å²
H-Bond Donors	3
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	28
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.39
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 142971298) is 5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(O)=C3CC3)[nH]c2cn1.

What is the InChIKey of 5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is OWRCGCKKHUEHJG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-15-5-1-12(2-6-15)7-17(20(27)13-3-4-13)26-21(28)18-9-14-8-16(10-23)24-11-19(14)25-18/h1-2,5-6,8-9,11,17,25,27H,3-4,7H2,(H,26,28)/t17-/m0/s1.

What are the key properties of 5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[(2S)-1-cyclopropylidene-3-(4-fluorophenyl)-1-hydroxypropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 142971298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).