N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine

C21H27N5 — CID 142456930

IUPACN-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCCc1cc2c(NC3CCCCC3)c(-c3ccc(C)nn3)cnc2[nH]1
InChIInChI=1S/C21H27N5/c1-3-7-16-12-17-20(23-15-8-5-4-6-9-15)18(13-22-21(17)24-16)19-11-10-14(2)25-26-19/h10-13,15H,3-9H2,1-2H3,(H2,22,23,24)
InChIKeyCJHYYDXTPSZXEW-UHFFFAOYSA-N
MW349.48 g/mol
LogP5.03
Rot. Bonds5

About N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine

N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 142456930) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound NameN-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID142456930
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCCc1cc2c(NC3CCCCC3)c(-c3ccc(C)nn3)cnc2[nH]1
InChIInChI=1S/C21H27N5/c1-3-7-16-12-17-20(23-15-8-5-4-6-9-15)18(13-22-21(17)24-16)19-11-10-14(2)25-26-19/h10-13,15H,3-9H2,1-2H3,(H2,22,23,24)
InChIKeyCJHYYDXTPSZXEW-UHFFFAOYSA-N
XLogP5.03
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.48
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine with MolForge

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Related Compounds

5-(2-aminopyrimidin-4-yl)-N-cyclohexyl-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 142456913
4-(cyclohexylamino)-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142456927
4-(cyclohexylamino)-2-propyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142456982
4-[(4-aminocyclohexyl)amino]-N-methyl-2-propyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 146434970
N-cyclohexyl-5-(3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781531
5-[4-(6-methylpyridazin-3-yl)-3-propylphenyl]-1H-pyrazolo[3,4-b]pyridine
CID 153348735
3-methyl-6-propyl-7H-pyrrolo[2,3-c]pyridazine
CID 118640136
1-N,3-N-dicyclohexyl-2-methyl-4-propylbenzene-1,3-diamine
CID 91374416
2-butan-2-yl-4-(cyclohexylamino)-N-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 142456958
N-cyclohexyl-5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 156781533
N-cyclohexyl-6-methylpyridin-3-amine
CID 75355981
3-(2-butyl-1H-imidazol-5-yl)-6-methylpyridazine
CID 10262767

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 142456930) is N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine is CCCc1cc2c(NC3CCCCC3)c(-c3ccc(C)nn3)cnc2[nH]1.
What is the InChIKey of N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is CJHYYDXTPSZXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-3-7-16-12-17-20(23-15-8-5-4-6-9-15)18(13-22-21(17)24-16)19-11-10-14(2)25-26-19/h10-13,15H,3-9H2,1-2H3,(H2,22,23,24).
What are the key properties of N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 349.48 g/mol, XLogP of 5.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(6-methylpyridazin-3-yl)-2-propyl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 142456930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).