1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

C24H34N8O — CID 171551820

IUPAC1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCC1(O)CCCCC1.Cc1nc2ccc(-c3ccn4nc(N)nc(N)c34)nc2n1C(C)C
InChIInChI=1S/C16H18N8.C8H16O/c1-8(2)24-9(3)19-12-5-4-11(20-15(12)24)10-6-7-23-13(10)14(17)21-16(18)22-23;1-2-8(9)6-4-3-5-7-8/h4-8H,1-3H3,(H4,17,18,21,22);9H,2-7H2,1H3
InChIKeyQACLNQVNHVRALP-UHFFFAOYSA-N
MW450.59 g/mol
LogP4.29
Rot. Bonds3

About 1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine

1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 171551820) has the molecular formula C24H34N8O and a molecular weight of 450.59 g/mol. Its IUPAC name is 1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

Compound Name1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
PubChem CID171551820
Molecular FormulaC24H34N8O
Molecular Weight450.59 g/mol
Exact Mass450.29
IUPAC Name1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
SMILESCCC1(O)CCCCC1.Cc1nc2ccc(-c3ccn4nc(N)nc(N)c34)nc2n1C(C)C
InChIInChI=1S/C16H18N8.C8H16O/c1-8(2)24-9(3)19-12-5-4-11(20-15(12)24)10-6-7-23-13(10)14(17)21-16(18)22-23;1-2-8(9)6-4-3-5-7-8/h4-8H,1-3H3,(H4,17,18,21,22);9H,2-7H2,1H3
InChIKeyQACLNQVNHVRALP-UHFFFAOYSA-N
XLogP4.29
TPSA133.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine with MolForge

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Related Compounds

cyclohexane;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551818
5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171550735
1-ethylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551436
(3R)-3-fluoro-1-methylpyrrolidine;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551090
ethane;1-ethylcyclohexan-1-ol;2-fluorobutane;5-[6-methyl-5-(propan-2-ylideneamino)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551716
ethane;1-methylcyclohexan-1-ol;5-[2-methyl-3-(2,2,2-trifluoroethyl)imidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171552180
2-cyclohexylpropan-2-ol;4-N-methyl-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171552317
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;1-ethyl-3,3-difluoropyrrolidine
CID 171550892
2-N-[(4R)-1-ethyl-3,3-difluoropiperidin-4-yl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171733976
2-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551219
5-[3-(2,2-difluoroethyl)-2-methylimidazo[4,5-b]pyridin-5-yl]pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine;(3R)-1-ethyl-3-fluoropyrrolidine
CID 171552268
3-fluoro-1-(2-methoxyethyl)piperidine;4-N-methyl-5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine
CID 171551611

Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The IUPAC name of 1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine (CID 171551820) is 1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine.
What is the SMILES notation for 1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The canonical SMILES for 1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is CCC1(O)CCCCC1.Cc1nc2ccc(-c3ccn4nc(N)nc(N)c34)nc2n1C(C)C.
What is the InChIKey of 1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
The InChIKey is QACLNQVNHVRALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8.C8H16O/c1-8(2)24-9(3)19-12-5-4-11(20-15(12)24)10-6-7-23-13(10)14(17)21-16(18)22-23;1-2-8(9)6-4-3-5-7-8/h4-8H,1-3H3,(H4,17,18,21,22);9H,2-7H2,1H3.
What are the key properties of 1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine?
1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 450.59 g/mol, XLogP of 4.29, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclohexan-1-ol;5-(2-methyl-3-propan-2-ylimidazo[4,5-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 171551820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).