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

C24H28FN7O3 — CID 170657369

IUPAC5-[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
SMILESCCC1(O)CCC(Nc2nc(OC)c3c(-c4ccn5ncc(C(=O)NC)c5c4)c(F)cn3n2)CC1
InChIInChI=1S/C24H28FN7O3/c1-4-24(34)8-5-15(6-9-24)28-23-29-22(35-3)20-19(17(25)13-32(20)30-23)14-7-10-31-18(11-14)16(12-27-31)21(33)26-2/h7,10-13,15,34H,4-6,8-9H2,1-3H3,(H,26,33)(H,28,30)
InChIKeyGOOZCCUKGIWBSX-UHFFFAOYSA-N
MW481.53 g/mol
LogP3.05
Rot. Bonds6

About 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

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 (PubChem CID 170657369) has the molecular formula C24H28FN7O3 and a molecular weight of 481.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID170657369
Molecular FormulaC24H28FN7O3
Molecular Weight481.53 g/mol
Exact Mass481.22
IUPAC Name5-[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
SMILESCCC1(O)CCC(Nc2nc(OC)c3c(-c4ccn5ncc(C(=O)NC)c5c4)c(F)cn3n2)CC1
InChIInChI=1S/C24H28FN7O3/c1-4-24(34)8-5-15(6-9-24)28-23-29-22(35-3)20-19(17(25)13-32(20)30-23)14-7-10-31-18(11-14)16(12-27-31)21(33)26-2/h7,10-13,15,34H,4-6,8-9H2,1-3H3,(H,26,33)(H,28,30)
InChIKeyGOOZCCUKGIWBSX-UHFFFAOYSA-N
XLogP3.05
TPSA118.08 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[7-(3-aminopyrazol-1-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]ethane-1,2-dione
CID 10435552
1-[7-(5-aminopyrazol-1-yl)-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[(3R)-4-benzoyl-3-methyl-piperazin-1-yl]ethane-1,2-dione
CID 15958872
2-[bis(2-fluorophenyl)-hydroxymethyl]-1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
CID 164626191
ethyl N-[4-[[4-amino-7-(2-methoxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carbonyl]amino]cyclohexyl]carbamate
CID 68231238
N-(4-(6-(3-(dimethylamino)propoxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-4-yloxy)-3-fluorophenyl)nicotinamide
CID 21081793
2-[(4-Hydroxycyclohexyl)amino]-4-[4-(5-methoxy-3-pyridinyl)-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 49871985
US11098041, Example 19
CID 121249780
N-methyl-5-[7-(1-methylpyrazol-4-yl)-6-phenylmethoxyimidazo[1,2-b]pyridazin-3-yl]pyridine-3-carboxamide
CID 161428819
(R)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-((5-methoxypyridin-2-yl)amino)nicotinamide
CID 138704126
1-[(4R)-4-[[5-[3-(2,2-difluoroethyl)benzotriazol-5-yl]-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-3,3-difluoropiperidin-1-yl]ethanone
CID 170642187
4-[[6-Fluoro-4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]-1-methylcyclohexan-1-ol
CID 170642235
N-[4-(difluoromethoxy)cyclohexyl]-5-imidazo[1,2-a]pyrimidin-6-yl-4-methoxypyrrolo[2,1-f][1,2,4]triazin-2-amine
CID 170642705

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCC1(O)CCC(Nc2nc(OC)c3c(-c4ccn5ncc(C(=O)NC)c5c4)c(F)cn3n2)CC1.
What is the InChIKey of 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?
The InChIKey is GOOZCCUKGIWBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O3/c1-4-24(34)8-5-15(6-9-24)28-23-29-22(35-3)20-19(17(25)13-32(20)30-23)14-7-10-31-18(11-14)16(12-27-31)21(33)26-2/h7,10-13,15,34H,4-6,8-9H2,1-3H3,(H,26,33)(H,28,30).
What are the key properties of 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?
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 has a molecular weight of 481.53 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170657369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).