(1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

C17H14N2O — CID 102626591

IUPAC(1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ccncc12)C1(c2ccccc2)CC1
InChIInChI=1S/C17H14N2O/c20-16(14-11-19-15-6-9-18-10-13(14)15)17(7-8-17)12-4-2-1-3-5-12/h1-6,9-11,19H,7-8H2
InChIKeyNSAWCCNVKJNZSG-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.48
Rot. Bonds3

About (1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone

(1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (PubChem CID 102626591) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.

Molecular Properties

Compound Name(1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
PubChem CID102626591
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
SMILESO=C(c1c[nH]c2ccncc12)C1(c2ccccc2)CC1
InChIInChI=1S/C17H14N2O/c20-16(14-11-19-15-6-9-18-10-13(14)15)17(7-8-17)12-4-2-1-3-5-12/h1-6,9-11,19H,7-8H2
InChIKeyNSAWCCNVKJNZSG-UHFFFAOYSA-N
XLogP3.48
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromo-1H-indol-3-yl)-(1-phenylcyclopropyl)methanone
CID 63491819
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)cyclohexane-1-carboxylic acid
CID 82664593
(4-amino-3-pyridinyl)-(4-phenylpiperidin-4-yl)methanone
CID 116561844
1-(1H-pyrrolo[3,2-c]pyridin-3-yl)butan-1-one
CID 102626397
2-cyclopropyl-1-(1H-pyrrolo[3,2-c]pyridin-3-yl)ethanone
CID 102626478
cyclohexyl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626384
1-benzothiophen-2-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626609
1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626680
(2,6-dimethoxyphenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626742
(3-aminophenyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626876
(1-phenylcyclopropyl)-quinolin-5-ylmethanone
CID 81197158
N-(pyridin-3-ylmethyl)-1H-pyrrolo[3,2-c]pyridine-3-carboxamide
CID 123424448

Frequently Asked Questions

What is the IUPAC name of (1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The IUPAC name of (1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone (CID 102626591) is (1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone.
What is the SMILES notation for (1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The canonical SMILES for (1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is O=C(c1c[nH]c2ccncc12)C1(c2ccccc2)CC1.
What is the InChIKey of (1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
The InChIKey is NSAWCCNVKJNZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c20-16(14-11-19-15-6-9-18-10-13(14)15)17(7-8-17)12-4-2-1-3-5-12/h1-6,9-11,19H,7-8H2.
What are the key properties of (1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone?
(1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone has a molecular weight of 262.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylcyclopropyl)-(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone is sourced from PubChem (CID 102626591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).