N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide

C20H24N8O3S2 — CID 178063820

IUPACN-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide
SMILESCS(=O)(=O)N1CC=C(c2cc(N3CCC[C@@H](NC(=O)c4ccns4)C3)c3c(N)ncnn23)C1
InChIInChI=1S/C20H24N8O3S2/c1-33(30,31)27-8-5-13(10-27)15-9-16(18-19(21)22-12-23-28(15)18)26-7-2-3-14(11-26)25-20(29)17-4-6-24-32-17/h4-6,9,12,14H,2-3,7-8,10-11H2,1H3,(H,25,29)(H2,21,22,23)/t14-/m1/s1
InChIKeyCZTULPSMFYQBRJ-CQSZACIVSA-N
MW488.60 g/mol
LogP0.83
Rot. Bonds5

About N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide

N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide (PubChem CID 178063820) has the molecular formula C20H24N8O3S2 and a molecular weight of 488.60 g/mol. Its IUPAC name is N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide
PubChem CID178063820
Molecular FormulaC20H24N8O3S2
Molecular Weight488.60 g/mol
Exact Mass488.14
IUPAC NameN-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide
SMILESCS(=O)(=O)N1CC=C(c2cc(N3CCC[C@@H](NC(=O)c4ccns4)C3)c3c(N)ncnn23)C1
InChIInChI=1S/C20H24N8O3S2/c1-33(30,31)27-8-5-13(10-27)15-9-16(18-19(21)22-12-23-28(15)18)26-7-2-3-14(11-26)25-20(29)17-4-6-24-32-17/h4-6,9,12,14H,2-3,7-8,10-11H2,1H3,(H,25,29)(H2,21,22,23)/t14-/m1/s1
InChIKeyCZTULPSMFYQBRJ-CQSZACIVSA-N
XLogP0.83
TPSA138.82 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-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

methyl 3-[4-amino-5-[(3R)-3-[[3-(2-aminoethoxy)-5-(difluoromethyl)thiophene-2-carbonyl]amino]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]-2,5-dihydropyrrole-1-carboxylate
CID 178063981
N-[(3R)-1-[4-amino-7-[4-[(5-chloro-2-fluorophenyl)sulfonylamino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-5-chlorothiophene-2-carboxamide
CID 178063945
N-[(3R)-1-[4-amino-7-(2-fluoro-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-3-(hydroxymethyl)-5-methylthiophene-2-carboxamide
CID 178063792
N-[(3R)-1-[4-amino-7-[2-(difluoromethyl)-4-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-5-(difluoromethyl)-3-morpholin-4-ylthiophene-2-carboxamide
CID 178063928
N-[(3R)-1-[4-amino-7-(4-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-2-methoxy-N-methylpyridine-4-carboxamide
CID 178063916
tert-butyl 3-[4-[4-amino-5-[(3R)-3-[(5-chlorothiophene-2-carbonyl)amino]piperidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-7-yl]triazol-1-yl]propanoate
CID 178063864
5-[(3R)-3-aminopyrrolidin-1-yl]-7-(4-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 178063844
N-[(3R)-1-[4-amino-7-(2-methoxypyrimidin-4-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-2-methyl-4-[4-(2-methylbutan-2-ylamino)cyclohexyl]oxy-1,3-thiazole-5-carboxamide
CID 178063810
N-[(3R)-1-[4-amino-6-chloro-7-(4-methylsulfonylphenyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]pyridine-4-carboxamide
CID 178063839
N-[(3R)-1-[4-amino-7-[6-methoxy-5-(methylcarbamoyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-4-[4-(dimethylamino)cyclohexyl]oxy-2-methyl-1,3-thiazole-5-carboxamide
CID 178063961
N-[(3R)-1-(6-methyl-4-oxo-1H-pyridazine-3-carbonyl)piperidin-3-yl]-1,2-thiazole-5-carboxamide
CID 166337363
5-bromo-N-(1-methylsulfonylpiperidin-3-yl)thiophene-2-carboxamide
CID 47909931

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide?
The IUPAC name of N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide (CID 178063820) is N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide?
The canonical SMILES for N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide is CS(=O)(=O)N1CC=C(c2cc(N3CCC[C@@H](NC(=O)c4ccns4)C3)c3c(N)ncnn23)C1.
What is the InChIKey of N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide?
The InChIKey is CZTULPSMFYQBRJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H24N8O3S2/c1-33(30,31)27-8-5-13(10-27)15-9-16(18-19(21)22-12-23-28(15)18)26-7-2-3-14(11-26)25-20(29)17-4-6-24-32-17/h4-6,9,12,14H,2-3,7-8,10-11H2,1H3,(H,25,29)(H2,21,22,23)/t14-/m1/s1.
What are the key properties of N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide?
N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide has a molecular weight of 488.60 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[4-amino-7-(1-methylsulfonyl-2,5-dihydropyrrol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]piperidin-3-yl]-1,2-thiazole-5-carboxamide is sourced from PubChem (CID 178063820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).