(2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide

C20H21FN10OS — CID 66971801

IUPAC(2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESCC1(c2cc(Nc3nc(N4C[C@H](F)C[C@H]4C(=O)Nc4ncns4)nc4cccn34)n[nH]2)CC1
InChIInChI=1S/C20H21FN10OS/c1-20(4-5-20)13-8-14(29-28-13)24-17-27-18(25-15-3-2-6-30(15)17)31-9-11(21)7-12(31)16(32)26-19-22-10-23-33-19/h2-3,6,8,10-12H,4-5,7,9H2,1H3,(H,22,23,26,32)(H2,24,25,27,28,29)/t11-,12+/m1/s1
InChIKeyBZLUWSCWGUKFOB-NEPJUHHUSA-N
MW468.52 g/mol
LogP2.65
Rot. Bonds6

About (2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide

(2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (PubChem CID 66971801) has the molecular formula C20H21FN10OS and a molecular weight of 468.52 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
PubChem CID66971801
Molecular FormulaC20H21FN10OS
Molecular Weight468.52 g/mol
Exact Mass468.16
IUPAC Name(2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
SMILESCC1(c2cc(Nc3nc(N4C[C@H](F)C[C@H]4C(=O)Nc4ncns4)nc4cccn34)n[nH]2)CC1
InChIInChI=1S/C20H21FN10OS/c1-20(4-5-20)13-8-14(29-28-13)24-17-27-18(25-15-3-2-6-30(15)17)31-9-11(21)7-12(31)16(32)26-19-22-10-23-33-19/h2-3,6,8,10-12H,4-5,7,9H2,1H3,(H,22,23,26,32)(H2,24,25,27,28,29)/t11-,12+/m1/s1
InChIKeyBZLUWSCWGUKFOB-NEPJUHHUSA-N
XLogP2.65
TPSA129.02 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze (2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

(2S,4S)-4-hydroxy-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 57680513
(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 57680605
(2S,4R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-fluoro-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 57680763
(2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 57680773
(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-2-methyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide
CID 57680774
(2S,4R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-fluoro-N-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-2-carboxamide
CID 24784541
(2S,4S)-4-hydroxy-N-(1,2,4-thiadiazol-5-yl)-1-[4-[[5-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 57680565
(2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 57680674
(2S,4R)-N-pyrazin-2-yl-4-(tetrazol-2-yl)-1-[4-[[5-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidine-2-carboxamide
CID 57680676
1-[(2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]-2-(1,2,4-thiadiazol-5-yl)ethanone
CID 58277528
1-[(2S,4S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-2-yl]-2-(1,2,4-thiadiazol-5-yl)ethanone
CID 58277551
1-[(2S,4R)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-4-fluoropyrrolidin-2-yl]-2-(1,2,4-thiadiazol-5-yl)ethanone
CID 58277571

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide (CID 66971801) is (2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is CC1(c2cc(Nc3nc(N4C[C@H](F)C[C@H]4C(=O)Nc4ncns4)nc4cccn34)n[nH]2)CC1.
What is the InChIKey of (2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
The InChIKey is BZLUWSCWGUKFOB-NEPJUHHUSA-N. The full InChI is InChI=1S/C20H21FN10OS/c1-20(4-5-20)13-8-14(29-28-13)24-17-27-18(25-15-3-2-6-30(15)17)31-9-11(21)7-12(31)16(32)26-19-22-10-23-33-19/h2-3,6,8,10-12H,4-5,7,9H2,1H3,(H,22,23,26,32)(H2,24,25,27,28,29)/t11-,12+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide?
(2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 2.65, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-1-[4-[[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[1,2-a][1,3,5]triazin-2-yl]-N-(1,2,4-thiadiazol-5-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 66971801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).