4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

C18H19N5O2 — CID 171556286

IUPAC4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2)COC3)c2c(N)ncnn12
InChIInChI=1S/C18H19N5O2/c1-10(2)15-6-14(16-17(19)20-9-21-23(15)16)18(24)22-13-4-3-11-7-25-8-12(11)5-13/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)(H2,19,20,21)
InChIKeyOWCOSGQZDAIAFK-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.72
Rot. Bonds3

About 4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide

4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (PubChem CID 171556286) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
PubChem CID171556286
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc3c(c2)COC3)c2c(N)ncnn12
InChIInChI=1S/C18H19N5O2/c1-10(2)15-6-14(16-17(19)20-9-21-23(15)16)18(24)22-13-4-3-11-7-25-8-12(11)5-13/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)(H2,19,20,21)
InChIKeyOWCOSGQZDAIAFK-UHFFFAOYSA-N
XLogP2.72
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-dihydro-2-benzofuran-5-yl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 126785728
1-[3-(4-amino-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carbonyl)phenyl]-3-(2-methylpyrazol-3-yl)urea
CID 67213718
N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63733677
1-(1,3-dihydro-2-benzofuran-5-yl)-3-pentan-2-ylurea
CID 118767148
4-amino-6-[2-[6-[4-amino-5-[(4-methoxyphenyl)carbamoyl]-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazin-3-ium-3-yl]-3-pyridinyl]ethynyl]-N-[4-(methoxymethyl)phenyl]-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 174281398
2-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-2-methylpentanamide
CID 113357367
N-(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 64782580
5-(1,3-dihydro-2-benzofuran-5-carbonylamino)pyridine-3-carboxylic acid
CID 63733480
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-methylbutanoic acid
CID 63733070
1-cyano-N-(1,3-dihydro-2-benzofuran-5-yl)ethanesulfonamide
CID 114262631
N-[4-[4-amino-7-[1-(2-methylpropanoyl)piperidin-4-yl]pyrrolo[2,1-f][1,2,4]triazin-5-yl]phenyl]-3-(2,5-difluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 130466309
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-7-propan-2-yl-[1,2,4]triazolo[1,5-a]pyrimidine-5-carboxamide
CID 51592806

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The IUPAC name of 4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide (CID 171556286) is 4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The canonical SMILES for 4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is CC(C)c1cc(C(=O)Nc2ccc3c(c2)COC3)c2c(N)ncnn12.
What is the InChIKey of 4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
The InChIKey is OWCOSGQZDAIAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-10(2)15-6-14(16-17(19)20-9-21-23(15)16)18(24)22-13-4-3-11-7-25-8-12(11)5-13/h3-6,9-10H,7-8H2,1-2H3,(H,22,24)(H2,19,20,21).
What are the key properties of 4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide?
4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1,3-dihydro-2-benzofuran-5-yl)-7-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-5-carboxamide is sourced from PubChem (CID 171556286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).