cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide

C20H19N3O3 — CID 163252451

IUPACcis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C=O)ncc2n1C
InChIInChI=1S/C20H19N3O3/c1-23-16(14-5-3-4-6-18(14)26-2)8-12-9-19(21-10-17(12)23)22-20(25)15-7-13(15)11-24/h3-6,8-11,13,15H,7H2,1-2H3,(H,21,22,25)/t13-,15+/m0/s1
InChIKeyGQZLGOIVJOFTPC-DZGCQCFKSA-N
MW349.39 g/mol
LogP3.02
Rot. Bonds5

About cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide

cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide (PubChem CID 163252451) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
PubChem CID163252451
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Namecis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide
SMILESCOc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C=O)ncc2n1C
InChIInChI=1S/C20H19N3O3/c1-23-16(14-5-3-4-6-18(14)26-2)8-12-9-19(21-10-17(12)23)22-20(25)15-7-13(15)11-24/h3-6,8-11,13,15H,7H2,1-2H3,(H,21,22,25)/t13-,15+/m0/s1
InChIKeyGQZLGOIVJOFTPC-DZGCQCFKSA-N
XLogP3.02
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide (CID 163252451) is cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide is COc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C=O)ncc2n1C.
What is the InChIKey of cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide?
The InChIKey is GQZLGOIVJOFTPC-DZGCQCFKSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23-16(14-5-3-4-6-18(14)26-2)8-12-9-19(21-10-17(12)23)22-20(25)15-7-13(15)11-24/h3-6,8-11,13,15H,7H2,1-2H3,(H,21,22,25)/t13-,15+/m0/s1.
What are the key properties of cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide?
cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-formyl-N-[2-(2-methoxyphenyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163252451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).