[2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone

C18H15ClN6O — CID 162759362

IUPAC[2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone
SMILESNc1nc2ccc(-c3cnc4[nH]ccc4c3Cl)cn2c1C(=O)C1CNC1
InChIInChI=1S/C18H15ClN6O/c19-14-11-3-4-22-18(11)23-7-12(14)9-1-2-13-24-17(20)15(25(13)8-9)16(26)10-5-21-6-10/h1-4,7-8,10,21H,5-6,20H2,(H,22,23)
InChIKeyAPPSBFNHFKXZOB-UHFFFAOYSA-N
MW366.81 g/mol
LogP2.52
Rot. Bonds3

About [2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone

[2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone (PubChem CID 162759362) has the molecular formula C18H15ClN6O and a molecular weight of 366.81 g/mol. Its IUPAC name is [2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone.

Molecular Properties

Compound Name[2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone
PubChem CID162759362
Molecular FormulaC18H15ClN6O
Molecular Weight366.81 g/mol
Exact Mass366.10
IUPAC Name[2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone
SMILESNc1nc2ccc(-c3cnc4[nH]ccc4c3Cl)cn2c1C(=O)C1CNC1
InChIInChI=1S/C18H15ClN6O/c19-14-11-3-4-22-18(11)23-7-12(14)9-1-2-13-24-17(20)15(25(13)8-9)16(26)10-5-21-6-10/h1-4,7-8,10,21H,5-6,20H2,(H,22,23)
InChIKeyAPPSBFNHFKXZOB-UHFFFAOYSA-N
XLogP2.52
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone with MolForge

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Related Compounds

[2-amino-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone
CID 162759574
2-amino-6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 162759536
3-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazo[1,2-a]pyridin-2-amine
CID 166991443
[2-amino-6-(1H-indol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(2-fluorocyclopropyl)methanone
CID 162759360
4-chloro-5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 156781483
4-chloro-5-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 156781518
3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-N-(1-methylpiperidin-3-yl)-1,2,4-oxadiazole-5-carboxamide
CID 70796135
[2-amino-6-[3-fluoro-2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-[(1S,2S)-2-fluorocyclopropyl]methanone
CID 164709553
ethyl 2-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-thiazole-5-carboxylate
CID 155254119
4-chloro-5-(oxetan-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 162760969
fluoro N-[6-(4-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-2-yl]carbamate
CID 154686076
7H-pyrrolo[2,3-d]pyrimidin-4-amine;dihydrochloride
CID 22736352

Frequently Asked Questions

What is the IUPAC name of [2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone?
The IUPAC name of [2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone (CID 162759362) is [2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone.
What is the SMILES notation for [2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone?
The canonical SMILES for [2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone is Nc1nc2ccc(-c3cnc4[nH]ccc4c3Cl)cn2c1C(=O)C1CNC1.
What is the InChIKey of [2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone?
The InChIKey is APPSBFNHFKXZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6O/c19-14-11-3-4-22-18(11)23-7-12(14)9-1-2-13-24-17(20)15(25(13)8-9)16(26)10-5-21-6-10/h1-4,7-8,10,21H,5-6,20H2,(H,22,23).
What are the key properties of [2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone?
[2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone has a molecular weight of 366.81 g/mol, XLogP of 2.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-6-(4-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)imidazo[1,2-a]pyridin-3-yl]-(azetidin-3-yl)methanone is sourced from PubChem (CID 162759362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).