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

C21H25N3 — CID 156781531

IUPACN-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCc1cc(C)cc(-c2cnc3[nH]ccc3c2NC2CCCCC2)c1
InChIInChI=1S/C21H25N3/c1-14-10-15(2)12-16(11-14)19-13-23-21-18(8-9-22-21)20(19)24-17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3,(H2,22,23,24)
InChIKeyARVKTIHZJJTGEU-UHFFFAOYSA-N
MW319.45 g/mol
LogP5.59
Rot. Bonds3

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

N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 156781531) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID156781531
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC NameN-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCc1cc(C)cc(-c2cnc3[nH]ccc3c2NC2CCCCC2)c1
InChIInChI=1S/C21H25N3/c1-14-10-15(2)12-16(11-14)19-13-23-21-18(8-9-22-21)20(19)24-17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3,(H2,22,23,24)
InChIKeyARVKTIHZJJTGEU-UHFFFAOYSA-N
XLogP5.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.45
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781533
N-cyclohexyl-5-methylsulfonyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 71258218
N-[(3S)-pyrrolidin-3-yl]-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155466084
ethyl 4-(cyclopentylamino)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate
CID 138624616
5-(3-chloro-4-methoxyphenyl)-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781520
N-cyclohexyl-5-[2-(2-fluorophenyl)ethynyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156786306
N-cyclohexyl-5-[2-[3-(trifluoromethyl)phenyl]ethynyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 167194459
N-(2,4,6-trimethylphenyl)cycloheptanamine
CID 63448201
5-ethyl-N-[(1S,3S)-3-methylcyclohexyl]-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 159825842
5-bromo-N-piperidin-3-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 155253895
4-[[4-[[5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile
CID 177374401
4-[(4-hydroxycyclohexyl)amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278172

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 156781531) is N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is Cc1cc(C)cc(-c2cnc3[nH]ccc3c2NC2CCCCC2)c1.
What is the InChIKey of N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is ARVKTIHZJJTGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-14-10-15(2)12-16(11-14)19-13-23-21-18(8-9-22-21)20(19)24-17-6-4-3-5-7-17/h8-13,17H,3-7H2,1-2H3,(H2,22,23,24).
What are the key properties of N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 319.45 g/mol, XLogP of 5.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 156781531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).