5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

C23H23FN8O3 — CID 139364482

IUPAC5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2c(C#N)cc3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1F
InChIInChI=1S/C23H23FN8O3/c1-23(3-4-23)22(34)31-9-15(24)16(10-31)30-20(33)14-5-13(8-27-21(14)35-2)18-12(7-25)6-17-19(26)28-11-29-32(17)18/h5-6,8,11,15-16H,3-4,9-10H2,1-2H3,(H,30,33)(H2,26,28,29)/t15-,16+/m0/s1
InChIKeyDSOBCRNEODMCBS-JKSUJKDBSA-N
MW478.49 g/mol
LogP1.33
Rot. Bonds5

About 5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide

5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 139364482) has the molecular formula C23H23FN8O3 and a molecular weight of 478.49 g/mol. Its IUPAC name is 5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
PubChem CID139364482
Molecular FormulaC23H23FN8O3
Molecular Weight478.49 g/mol
Exact Mass478.19
IUPAC Name5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncc(-c2c(C#N)cc3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1F
InChIInChI=1S/C23H23FN8O3/c1-23(3-4-23)22(34)31-9-15(24)16(10-31)30-20(33)14-5-13(8-27-21(14)35-2)18-12(7-25)6-17-19(26)28-11-29-32(17)18/h5-6,8,11,15-16H,3-4,9-10H2,1-2H3,(H,30,33)(H2,26,28,29)/t15-,16+/m0/s1
InChIKeyDSOBCRNEODMCBS-JKSUJKDBSA-N
XLogP1.33
TPSA151.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide (CID 139364482) is 5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is COc1ncc(-c2c(C#N)cc3c(N)ncnn23)cc1C(=O)N[C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1F.
What is the InChIKey of 5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is DSOBCRNEODMCBS-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H23FN8O3/c1-23(3-4-23)22(34)31-9-15(24)16(10-31)30-20(33)14-5-13(8-27-21(14)35-2)18-12(7-25)6-17-19(26)28-11-29-32(17)18/h5-6,8,11,15-16H,3-4,9-10H2,1-2H3,(H,30,33)(H2,26,28,29)/t15-,16+/m0/s1.
What are the key properties of 5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide?
5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 478.49 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-6-cyanopyrrolo[2,1-f][1,2,4]triazin-7-yl)-N-[(3R,4S)-4-fluoro-1-(1-methylcyclopropanecarbonyl)pyrrolidin-3-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 139364482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).