5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide

C24H23N9O2 — CID 139349112

IUPAC5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(CN)c3c(N)ncnn23)cc1C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H23N9O2/c1-35-24-19(23(34)31-18-11-29-32(13-18)12-15-5-3-2-4-6-15)7-17(10-27-24)20-8-16(9-25)21-22(26)28-14-30-33(20)21/h2-8,10-11,13-14H,9,12,25H2,1H3,(H,31,34)(H2,26,28,30)
InChIKeyKGHPEHQOENMVAT-UHFFFAOYSA-N
MW469.51 g/mol
LogP2.34
Rot. Bonds7

About 5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide

5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide (PubChem CID 139349112) has the molecular formula C24H23N9O2 and a molecular weight of 469.51 g/mol. Its IUPAC name is 5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide
PubChem CID139349112
Molecular FormulaC24H23N9O2
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2cc(CN)c3c(N)ncnn23)cc1C(=O)Nc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C24H23N9O2/c1-35-24-19(23(34)31-18-11-29-32(13-18)12-15-5-3-2-4-6-15)7-17(10-27-24)20-8-16(9-25)21-22(26)28-14-30-33(20)21/h2-8,10-11,13-14H,9,12,25H2,1H3,(H,31,34)(H2,26,28,30)
InChIKeyKGHPEHQOENMVAT-UHFFFAOYSA-N
XLogP2.34
TPSA151.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

5-(4-amino-5-chloropyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-(2,2-dimethylpropyl)pyrazol-4-yl]-2-methoxypyridine-3-carboxamide
CID 139349167
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methylpyridine-3-carboxamide
CID 155251940
5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[1-[(2-fluoro-5-methylphenyl)methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
CID 160662377
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[1-[(4-chlorophenyl)methyl]imidazol-4-yl]-2-methoxypyridine-3-carboxamide
CID 139349296
5-(4-amino-5-methylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-2-methoxy-N-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]pyridine-3-carboxamide
CID 158896964
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzyl-5-oxopyrrolidin-3-yl)-2-methoxypyridine-3-carboxamide
CID 155252821
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-[1-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-2-methylpyridine-3-carboxamide
CID 139348888
5-[4-amino-5-[(2-hydroxyethylamino)methyl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-[3-(4-chlorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide
CID 139349036
2-[[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 35521452
5-[4-amino-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2-methoxy-N-[2-(3-phenylpiperidin-1-yl)ethyl]pyridine-3-carboxamide
CID 139348980
N-(1-benzylpyrazol-4-yl)-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19397593

Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide (CID 139349112) is 5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide is COc1ncc(-c2cc(CN)c3c(N)ncnn23)cc1C(=O)Nc1cnn(Cc2ccccc2)c1.
What is the InChIKey of 5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide?
The InChIKey is KGHPEHQOENMVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N9O2/c1-35-24-19(23(34)31-18-11-29-32(13-18)12-15-5-3-2-4-6-15)7-17(10-27-24)20-8-16(9-25)21-22(26)28-14-30-33(20)21/h2-8,10-11,13-14H,9,12,25H2,1H3,(H,31,34)(H2,26,28,30).
What are the key properties of 5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide?
5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide has a molecular weight of 469.51 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-5-(aminomethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]-N-(1-benzylpyrazol-4-yl)-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 139349112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).