(5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

C21H21N5O2 — CID 110257772

IUPAC(5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4c(C)nc5cccnc54)C3)cc2c1
InChIInChI=1S/C21H21N5O2/c1-13-23-18-4-3-8-22-20(18)26(13)15-7-9-25(12-15)21(27)19-11-14-10-16(28-2)5-6-17(14)24-19/h3-6,8,10-11,15,24H,7,9,12H2,1-2H3
InChIKeyQWMRTNOIGVVBIR-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.32
Rot. Bonds3

About (5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone

(5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 110257772) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is (5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
PubChem CID110257772
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name(5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C(=O)N3CCC(n4c(C)nc5cccnc54)C3)cc2c1
InChIInChI=1S/C21H21N5O2/c1-13-23-18-4-3-8-22-20(18)26(13)15-7-9-25(12-15)21(27)19-11-14-10-16(28-2)5-6-17(14)24-19/h3-6,8,10-11,15,24H,7,9,12H2,1-2H3
InChIKeyQWMRTNOIGVVBIR-UHFFFAOYSA-N
XLogP3.32
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone (CID 110257772) is (5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is COc1ccc2[nH]c(C(=O)N3CCC(n4c(C)nc5cccnc54)C3)cc2c1.
What is the InChIKey of (5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is QWMRTNOIGVVBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-23-18-4-3-8-22-20(18)26(13)15-7-9-25(12-15)21(27)19-11-14-10-16(28-2)5-6-17(14)24-19/h3-6,8,10-11,15,24H,7,9,12H2,1-2H3.
What are the key properties of (5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone?
(5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 375.43 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-1H-indol-2-yl)-[3-(2-methylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110257772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).