(2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone

C16H16N4O3S — CID 15048567

IUPAC(2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone
SMILESCC(C)S(=O)(=O)n1c(N)nc2ncc(C(=O)c3ccccc3)cc21
InChIInChI=1S/C16H16N4O3S/c1-10(2)24(22,23)20-13-8-12(9-18-15(13)19-16(20)17)14(21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19)
InChIKeyRLQIDYASEMCIIO-UHFFFAOYSA-N
MW344.40 g/mol
LogP1.83
Rot. Bonds4

About (2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone

(2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone (PubChem CID 15048567) has the molecular formula C16H16N4O3S and a molecular weight of 344.40 g/mol. Its IUPAC name is (2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone
PubChem CID15048567
Molecular FormulaC16H16N4O3S
Molecular Weight344.40 g/mol
Exact Mass344.09
IUPAC Name(2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone
SMILESCC(C)S(=O)(=O)n1c(N)nc2ncc(C(=O)c3ccccc3)cc21
InChIInChI=1S/C16H16N4O3S/c1-10(2)24(22,23)20-13-8-12(9-18-15(13)19-16(20)17)14(21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19)
InChIKeyRLQIDYASEMCIIO-UHFFFAOYSA-N
XLogP1.83
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Plx4032
CID 53438230
(2-Amino-6-(2,6-Difluoro-Benzoyl)-Imidazo(1,2-a)Pyridin-3-Yl)-Phenyl-Methanone
CID 5289179
2,6-Difluoro-N-(1h-Imidazo[4,5-B]pyridin-6-Yl)-3-[(Propylsulfonyl)amino]benzamide
CID 44199417
2,6-difluoro-N-(2-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-(propylsulfonamido)benzamide
CID 44223627
2,6-difluoro-3-(propylsulfonylamino)-N-[2-[3-(trifluoromethyl)phenyl]-1H-imidazo[4,5-b]pyridin-6-yl]benzamide
CID 44231244
Aminoimidazo[1,2-a]pyridine deriv. 17
CID 5330619
Aminoimidazo[1,2-a]pyridine deriv. 18
CID 5330620
3-[2-(Dipropylamino)-2-oxoethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 10785916
S-[2-[6-[(1-methylbenzimidazol-5-yl)sulfonylamino]-3-pyridinyl]-2-oxoethyl] ethanethioate
CID 16051663
2-(2,4-difluorophenyl)-N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24783299
N-[2-[4-(ethylsulfonylamino)phenyl]ethyl]-2-(4-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784075
2-(4-fluorophenyl)-N-[2-[4-(methanesulfonamido)phenyl]ethyl]-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 24784332

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone?
The IUPAC name of (2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone (CID 15048567) is (2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone.
What is the SMILES notation for (2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone?
The canonical SMILES for (2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone is CC(C)S(=O)(=O)n1c(N)nc2ncc(C(=O)c3ccccc3)cc21.
What is the InChIKey of (2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone?
The InChIKey is RLQIDYASEMCIIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S/c1-10(2)24(22,23)20-13-8-12(9-18-15(13)19-16(20)17)14(21)11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,17,18,19).
What are the key properties of (2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone?
(2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone has a molecular weight of 344.40 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-propan-2-ylsulfonylimidazo[4,5-b]pyridin-6-yl)-phenylmethanone is sourced from PubChem (CID 15048567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).