5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

C26H33N7O3 — CID 160588674

IUPAC5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C)c3c(N)ncnn23)cc1C(=O)NC1CN(C(=O)C2CCCCC2)CC1C
InChIInChI=1S/C26H33N7O3/c1-15-9-21(33-22(15)23(27)29-14-30-33)18-10-19(25(36-3)28-11-18)24(34)31-20-13-32(12-16(20)2)26(35)17-7-5-4-6-8-17/h9-11,14,16-17,20H,4-8,12-13H2,1-3H3,(H,31,34)(H2,27,29,30)
InChIKeyRCSMWQSEYXNMDJ-UHFFFAOYSA-N
MW491.60 g/mol
LogP2.85
Rot. Bonds5

About 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 160588674) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
PubChem CID160588674
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC Name5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(C)c3c(N)ncnn23)cc1C(=O)NC1CN(C(=O)C2CCCCC2)CC1C
InChIInChI=1S/C26H33N7O3/c1-15-9-21(33-22(15)23(27)29-14-30-33)18-10-19(25(36-3)28-11-18)24(34)31-20-13-32(12-16(20)2)26(35)17-7-5-4-6-8-17/h9-11,14,16-17,20H,4-8,12-13H2,1-3H3,(H,31,34)(H2,27,29,30)
InChIKeyRCSMWQSEYXNMDJ-UHFFFAOYSA-N
XLogP2.85
TPSA127.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(4S)-1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 160628124
5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(4S)-4-fluoro-1-(4-fluorocyclohexanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 159975998
5-(4-amino-5-cyclopropylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139348656
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(piperidine-1-carbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139349232
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(2-cyclohexylacetyl)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155251841
5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-(3,3-difluorocyclobutanecarbonyl)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 170079545
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3S,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 155252412
5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139348779
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-(2-fluoro-2-methylpropanoyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155251875
5-(4-amino-5-fluoropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155252409
5-[4-amino-5-(pyrazol-1-ylmethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(3,3-difluorocyclobutanecarbonyl)-4-fluoropyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 139348925
5-[4-amino-5-(1-piperidin-1-ylethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-4-fluoro-1-[(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoyl]pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
CID 155251675

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (CID 160588674) is 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2cc(C)c3c(N)ncnn23)cc1C(=O)NC1CN(C(=O)C2CCCCC2)CC1C.
What is the InChIKey of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is RCSMWQSEYXNMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3/c1-15-9-21(33-22(15)23(27)29-14-30-33)18-10-19(25(36-3)28-11-18)24(34)31-20-13-32(12-16(20)2)26(35)17-7-5-4-6-8-17/h9-11,14,16-17,20H,4-8,12-13H2,1-3H3,(H,31,34)(H2,27,29,30).
What are the key properties of 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 160588674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).