acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide

C22H24N10O2S — CID 143606577

IUPACacetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide
SMILESC#C.C#C.NC(=O)c1cc(Nc2nc(N3CCCC3)nn3cccc23)n[nH]1.O=CNc1nccs1
InChIInChI=1S/C14H16N8O.C4H4N2OS.2C2H2/c15-12(23)9-8-11(19-18-9)16-13-10-4-3-7-22(10)20-14(17-13)21-5-1-2-6-21;7-3-6-4-5-1-2-8-4;2*1-2/h3-4,7-8H,1-2,5-6H2,(H2,15,23)(H2,16,17,18,19,20);1-3H,(H,5,6,7);2*1-2H
InChIKeyOALQKHJYIQMZJK-UHFFFAOYSA-N
MW492.57 g/mol
LogP2.11
Rot. Bonds6

About acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide

acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide (PubChem CID 143606577) has the molecular formula C22H24N10O2S and a molecular weight of 492.57 g/mol. Its IUPAC name is acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide.

Molecular Properties

Compound Nameacetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide
PubChem CID143606577
Molecular FormulaC22H24N10O2S
Molecular Weight492.57 g/mol
Exact Mass492.18
IUPAC Nameacetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide
SMILESC#C.C#C.NC(=O)c1cc(Nc2nc(N3CCCC3)nn3cccc23)n[nH]1.O=CNc1nccs1
InChIInChI=1S/C14H16N8O.C4H4N2OS.2C2H2/c15-12(23)9-8-11(19-18-9)16-13-10-4-3-7-22(10)20-14(17-13)21-5-1-2-6-21;7-3-6-4-5-1-2-8-4;2*1-2/h3-4,7-8H,1-2,5-6H2,(H2,15,23)(H2,16,17,18,19,20);1-3H,(H,5,6,7);2*1-2H
InChIKeyOALQKHJYIQMZJK-UHFFFAOYSA-N
XLogP2.11
TPSA159.22 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.57
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide with MolForge

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58095931
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine;ethyl benzoate;formamide
CID 143606616
(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-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 24785537
3-[[2-[(2S)-2-[2-(6-amino-3-pyridinyl)acetyl]-2-methylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 58277746
(1-hydroxycyclopropyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 58532779
2-(4-aminopiperidin-1-yl)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 68840389
acetylene;N-(6-fluoro-3-pyridinyl)formamide;N-(1-propan-2-ylimidazol-4-yl)-2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 143606443
1-[(2S)-1-[4-[[5-(1-hydroxycyclopropyl)-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]pyrrolidin-2-yl]-2-(1,3-thiazol-2-yl)ethanone
CID 58277732
(2-chlorophenyl)-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]methanone
CID 53319646
N-cyclopropyl-3-[[2-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-1H-pyrazole-5-carboxamide
CID 24824686
[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-(1,3-oxazol-2-yl)methanone
CID 58532762
(2R)-2-hydroxy-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]-2-phenylpropan-1-one
CID 58532709

Frequently Asked Questions

What is the IUPAC name of acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide?
The IUPAC name of acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide (CID 143606577) is acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide.
What is the SMILES notation for acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide?
The canonical SMILES for acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide is C#C.C#C.NC(=O)c1cc(Nc2nc(N3CCCC3)nn3cccc23)n[nH]1.O=CNc1nccs1.
What is the InChIKey of acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide?
The InChIKey is OALQKHJYIQMZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N8O.C4H4N2OS.2C2H2/c15-12(23)9-8-11(19-18-9)16-13-10-4-3-7-22(10)20-14(17-13)21-5-1-2-6-21;7-3-6-4-5-1-2-8-4;2*1-2/h3-4,7-8H,1-2,5-6H2,(H2,15,23)(H2,16,17,18,19,20);1-3H,(H,5,6,7);2*1-2H.
What are the key properties of acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide?
acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide has a molecular weight of 492.57 g/mol, XLogP of 2.11, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;3-[(2-pyrrolidin-1-ylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-1H-pyrazole-5-carboxamide;N-(1,3-thiazol-2-yl)formamide is sourced from PubChem (CID 143606577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).