6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide

C24H29N7O3 — CID 170657324

IUPAC6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC1(O)CCC(Nc2nc(OC)c3c(-c4ccc5ncc(C(=O)NC)n5c4)ccn3n2)CC1
InChIInChI=1S/C24H29N7O3/c1-4-24(33)10-7-16(8-11-24)27-23-28-22(34-3)20-17(9-12-31(20)29-23)15-5-6-19-26-13-18(21(32)25-2)30(19)14-15/h5-6,9,12-14,16,33H,4,7-8,10-11H2,1-3H3,(H,25,32)(H,27,29)
InChIKeyUMEYTCUVVDJYIK-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.91
Rot. Bonds6

About 6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide

6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 170657324) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID170657324
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCCC1(O)CCC(Nc2nc(OC)c3c(-c4ccc5ncc(C(=O)NC)n5c4)ccn3n2)CC1
InChIInChI=1S/C24H29N7O3/c1-4-24(33)10-7-16(8-11-24)27-23-28-22(34-3)20-17(9-12-31(20)29-23)15-5-6-19-26-13-18(21(32)25-2)30(19)14-15/h5-6,9,12-14,16,33H,4,7-8,10-11H2,1-3H3,(H,25,32)(H,27,29)
InChIKeyUMEYTCUVVDJYIK-UHFFFAOYSA-N
XLogP2.91
TPSA118.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

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Related Compounds

6-[2-[(4,4-dimethylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170642352
5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170657316
5-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170657369
2-[4-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]cyclohexyl]oxyethanol
CID 170642062
2-[2-[(4-hydroxy-4-methylcyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 170642201
4-[(4-methoxy-5-quinoxalin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-1-methylcyclohexan-1-ol
CID 170642457
6-[2-(cyclohexylamino)-6-fluoro-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-8-fluoro-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 170642954
4-[[4-(difluoromethoxy)-5-imidazo[1,2-a]pyridin-6-ylpyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 170643129
1-[2-[(5-imidazo[1,2-a]pyridin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl)amino]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 170642298
4-[[4-methoxy-5-(3-methylbenzotriazol-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-N,1-dimethylcyclohexane-1-carboxamide
CID 170657368
1-[4-[[5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-(trideuteriomethoxy)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]piperidin-1-yl]ethanone
CID 170642523
3-N-[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]-1-methylcyclobutane-1,3-diamine
CID 170657276

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 170657324) is 6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide is CCC1(O)CCC(Nc2nc(OC)c3c(-c4ccc5ncc(C(=O)NC)n5c4)ccn3n2)CC1.
What is the InChIKey of 6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is UMEYTCUVVDJYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-4-24(33)10-7-16(8-11-24)27-23-28-22(34-3)20-17(9-12-31(20)29-23)15-5-6-19-26-13-18(21(32)25-2)30(19)14-15/h5-6,9,12-14,16,33H,4,7-8,10-11H2,1-3H3,(H,25,32)(H,27,29).
What are the key properties of 6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.91, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(4-ethyl-4-hydroxycyclohexyl)amino]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-5-yl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 170657324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).