cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide

C19H18FN3O2 — CID 163252292

IUPACcis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2n1C
InChIInChI=1S/C19H18FN3O2/c1-23-15-9-18(22-19(24)13-8-14(13)20)21-10-11(15)7-16(23)12-5-3-4-6-17(12)25-2/h3-7,9-10,13-14H,8H2,1-2H3,(H,21,22,24)/t13-,14+/m1/s1
InChIKeyIHOYOBUZMCRIML-KGLIPLIRSA-N
MW339.37 g/mol
LogP3.55
Rot. Bonds4

About cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide

cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide (PubChem CID 163252292) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide
PubChem CID163252292
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Namecis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2n1C
InChIInChI=1S/C19H18FN3O2/c1-23-15-9-18(22-19(24)13-8-14(13)20)21-10-11(15)7-16(23)12-5-3-4-6-17(12)25-2/h3-7,9-10,13-14H,8H2,1-2H3,(H,21,22,24)/t13-,14+/m1/s1
InChIKeyIHOYOBUZMCRIML-KGLIPLIRSA-N
XLogP3.55
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252451
2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 175469618
2-fluoro-N-[2-(7-methoxyindolizin-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 170254808
cis-(1S,2S)-N-[2-(3,5-dimethoxypyridazin-4-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 167023260
cis-(1S,2S)-2-fluoro-N-[2-(2-methoxy-3-pyridinyl)-1-(trideuteriomethyl)pyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 167374690
cis-(1S,2S)-2-fluoro-N-[2-(6-methoxy-1H-isoindol-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 170233163
cis-(1R,2R)-N-[2-(2-ethoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 163252239
2-fluoro-N-[2-(7-methoxy-1H-indazol-6-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252352
2-fluoro-N-[3-(5-fluoro-2-methylphenyl)-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123806
cis-(1S,2S)-N-[2-[2-(difluoromethyl)-4,6-dimethoxypyrimidin-5-yl]-1-methylpyrrolo[2,3-c]pyridin-5-yl]-2-fluorocyclopropane-1-carboxamide
CID 167374698
cis-methyl (1R,2S)-2-[[2-(2-methoxy-4-methylphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]carbamoyl]cyclopropane-1-carboxylate
CID 170238276
2-fluoro-N-[2-(4-methoxy-6-methylpyrimidin-5-yl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
CID 163252731

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide (CID 163252292) is cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide is COc1ccccc1-c1cc2cnc(NC(=O)[C@@H]3C[C@@H]3F)cc2n1C.
What is the InChIKey of cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide?
The InChIKey is IHOYOBUZMCRIML-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-23-15-9-18(22-19(24)13-8-14(13)20)21-10-11(15)7-16(23)12-5-3-4-6-17(12)25-2/h3-7,9-10,13-14H,8H2,1-2H3,(H,21,22,24)/t13-,14+/m1/s1.
What are the key properties of cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide?
cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-fluoro-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163252292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).