cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

C20H22CsN5O2 — CID 163251591

IUPACcesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESC1CC1.COc1cc2nccn2cc1-c1c[nH]c2nc(NC=O)ccc12.[CH3-].[Cs+]
InChIInChI=1S/C16H13N5O2.C3H6.CH3.Cs/c1-23-13-6-15-17-4-5-21(15)8-12(13)11-7-18-16-10(11)2-3-14(20-16)19-9-22;1-2-3-1;;/h2-9H,1H3,(H2,18,19,20,22);1-3H2;1H3;/q;;-1;+1
InChIKeyWCLSDDAELPHJMK-UHFFFAOYSA-N
MW497.33 g/mol
LogP1.08
Rot. Bonds4

About cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide

cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (PubChem CID 163251591) has the molecular formula C20H22CsN5O2 and a molecular weight of 497.33 g/mol. Its IUPAC name is cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.

Molecular Properties

Compound Namecesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
PubChem CID163251591
Molecular FormulaC20H22CsN5O2
Molecular Weight497.33 g/mol
Exact Mass497.08
IUPAC Namecesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
SMILESC1CC1.COc1cc2nccn2cc1-c1c[nH]c2nc(NC=O)ccc12.[CH3-].[Cs+]
InChIInChI=1S/C16H13N5O2.C3H6.CH3.Cs/c1-23-13-6-15-17-4-5-21(15)8-12(13)11-7-18-16-10(11)2-3-14(20-16)19-9-22;1-2-3-1;;/h2-9H,1H3,(H2,18,19,20,22);1-3H2;1H3;/q;;-1;+1
InChIKeyWCLSDDAELPHJMK-UHFFFAOYSA-N
XLogP1.08
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(6-methoxy-1,3-benzothiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 163251306
N-[3-(4-methoxy-1,3-benzothiazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 163251160
4-(cyclopropylmethyl)morpholine;N-[3-(2,6-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 163252100
methyl 7-methoxyimidazo[1,2-a]pyridine-6-carboxylate
CID 76849673
7-methoxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 76849672
2-ethoxy-5-imidazo[1,2-a]pyridin-6-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 168772653
N-[3-(2,4-dimethoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 163251909
2-fluoro-N-[3-(6-methoxy-1,3-benzoxazol-5-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 163251506
6-tert-butylsulfinyl-7-methoxyimidazo[1,2-a]pyridine
CID 134366014
cyclopropane;N-[3-(4-cyclopropyloxy-2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]formamide
CID 163250887
ethanol;N-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
CID 163251075
N-[3-(2-methoxy-3-pyridinyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]formamide
CID 163251510

Frequently Asked Questions

What is the IUPAC name of cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The IUPAC name of cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide (CID 163251591) is cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide.
What is the SMILES notation for cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The canonical SMILES for cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is C1CC1.COc1cc2nccn2cc1-c1c[nH]c2nc(NC=O)ccc12.[CH3-].[Cs+].
What is the InChIKey of cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
The InChIKey is WCLSDDAELPHJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2.C3H6.CH3.Cs/c1-23-13-6-15-17-4-5-21(15)8-12(13)11-7-18-16-10(11)2-3-14(20-16)19-9-22;1-2-3-1;;/h2-9H,1H3,(H2,18,19,20,22);1-3H2;1H3;/q;;-1;+1.
What are the key properties of cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide?
cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide has a molecular weight of 497.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;carbanide;cyclopropane;N-[3-(7-methoxyimidazo[1,2-a]pyridin-6-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide is sourced from PubChem (CID 163251591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).