N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine

C14H19N3O2S — CID 71258218

IUPACN-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCS(=O)(=O)c1cnc2[nH]ccc2c1NC1CCCCC1
InChIInChI=1S/C14H19N3O2S/c1-20(18,19)12-9-16-14-11(7-8-15-14)13(12)17-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,15,16,17)
InChIKeyVFXFCWAVCGMNQL-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.71
Rot. Bonds3

About N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine

N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 71258218) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID71258218
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC NameN-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCS(=O)(=O)c1cnc2[nH]ccc2c1NC1CCCCC1
InChIInChI=1S/C14H19N3O2S/c1-20(18,19)12-9-16-14-11(7-8-15-14)13(12)17-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,15,16,17)
InChIKeyVFXFCWAVCGMNQL-UHFFFAOYSA-N
XLogP2.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781531
5-chloro-N-(1-methylsulfonylpiperidin-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 58896827
N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781533
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
4-[[(3R)-1-methylsulfonylpiperidin-3-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278426
5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 159825842
N-cyclohexyl-5-[2-(2-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156786306
4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278172
N-[cyclohexyl(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,3,6,8,11-pentaen-4-yl)methyl]methanesulfonamide
CID 67325591
5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155253895
carbon dioxide;trans-(1S,3S)-3-[(5-ethyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]cyclohexan-1-ol
CID 160534123
4-[(1,1-dioxothian-4-yl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67277869

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 71258218) is N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine is CS(=O)(=O)c1cnc2[nH]ccc2c1NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is VFXFCWAVCGMNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-20(18,19)12-9-16-14-11(7-8-15-14)13(12)17-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H2,15,16,17).
What are the key properties of N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 293.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 71258218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).