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

C26H33N7O2 — CID 160628124

IUPAC5-(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
SMILESCc1ncc(-c2cc(C)c3c(N)ncnn23)cc1C(=O)NC1CN(C(=O)C2CCCCC2)C[C@@H]1C
InChIInChI=1S/C26H33N7O2/c1-15-9-22(33-23(15)24(27)29-14-30-33)19-10-20(17(3)28-11-19)25(34)31-21-13-32(12-16(21)2)26(35)18-7-5-4-6-8-18/h9-11,14,16,18,21H,4-8,12-13H2,1-3H3,(H,31,34)(H2,27,29,30)/t16-,21?/m0/s1
InChIKeyRHOMWDDDTGQIMV-BJQOMGFOSA-N
MW475.60 g/mol
LogP3.15
Rot. Bonds4

About 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

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 (PubChem CID 160628124) has the molecular formula C26H33N7O2 and a molecular weight of 475.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(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
PubChem CID160628124
Molecular FormulaC26H33N7O2
Molecular Weight475.60 g/mol
Exact Mass475.27
IUPAC Name5-(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
SMILESCc1ncc(-c2cc(C)c3c(N)ncnn23)cc1C(=O)NC1CN(C(=O)C2CCCCC2)C[C@@H]1C
InChIInChI=1S/C26H33N7O2/c1-15-9-22(33-23(15)24(27)29-14-30-33)19-10-20(17(3)28-11-19)25(34)31-21-13-32(12-16(21)2)26(35)18-7-5-4-6-8-18/h9-11,14,16,18,21H,4-8,12-13H2,1-3H3,(H,31,34)(H2,27,29,30)/t16-,21?/m0/s1
InChIKeyRHOMWDDDTGQIMV-BJQOMGFOSA-N
XLogP3.15
TPSA118.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.60
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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
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-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-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(4S)-4-fluoro-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 161430162
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(4,4-difluorocyclohexanecarbonyl)-4-fluoropyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 139348862
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R)-4-fluoro-1-(4-fluorobenzoyl)pyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 155261558
benzyl (3S,4S)-3-[[5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-(trifluoromethyl)pyridine-3-carbonyl]amino]-4-methylpyrrolidine-1-carboxylate
CID 153329496
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[(3R,4S)-1-(2,5-difluorobenzoyl)-4-fluoropyrrolidin-3-yl]-2-methylpyridine-3-carboxamide
CID 155252221
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ncc(-c2cc(C)c3c(N)ncnn23)cc1C(=O)NC1CN(C(=O)C2CCCCC2)C[C@@H]1C.
What is the InChIKey of 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?
The InChIKey is RHOMWDDDTGQIMV-BJQOMGFOSA-N. The full InChI is InChI=1S/C26H33N7O2/c1-15-9-22(33-23(15)24(27)29-14-30-33)19-10-20(17(3)28-11-19)25(34)31-21-13-32(12-16(21)2)26(35)18-7-5-4-6-8-18/h9-11,14,16,18,21H,4-8,12-13H2,1-3H3,(H,31,34)(H2,27,29,30)/t16-,21?/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 475.60 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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-[(4S)-1-(cyclohexanecarbonyl)-4-methylpyrrolidin-3-yl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 160628124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).