5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C19H17N7O — CID 90918850

IUPAC5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4ncco4)c3)c12
InChIInChI=1S/C19H17N7O/c1-2-13-5-7-25-18(13)19(21-12-23-25)24-15-3-4-16-14(9-15)10-22-26(16)11-17-20-6-8-27-17/h3-10,12H,2,11H2,1H3,(H,21,23,24)
InChIKeyKRLGVHPRQSRPAY-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.42
Rot. Bonds5

About 5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 90918850) has the molecular formula C19H17N7O and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID90918850
Molecular FormulaC19H17N7O
Molecular Weight359.39 g/mol
Exact Mass359.15
IUPAC Name5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4ncco4)c3)c12
InChIInChI=1S/C19H17N7O/c1-2-13-5-7-25-18(13)19(21-12-23-25)24-15-3-4-16-14(9-15)10-22-26(16)11-17-20-6-8-27-17/h3-10,12H,2,11H2,1H3,(H,21,23,24)
InChIKeyKRLGVHPRQSRPAY-UHFFFAOYSA-N
XLogP3.42
TPSA86.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Related Compounds

2-imidazol-1-ylethyl N-[4-[(1-benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamate
CID 9871380
1-(1,3-Oxazol-5-ylmethyl)-3-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 150842946
4-[6-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-1H-benzimidazol-2-yl]-1,3-oxazole
CID 118525781
N-[1-(4-methylphenyl)-3-[1-(1,3-oxazol-2-ylmethyl)piperidin-3-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68357969
N-[1-(4-methylphenyl)-3-[1-(1,3-oxazol-2-ylmethyl)piperidin-4-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68358052
N-[1-(4-methylphenyl)-3-[1-(1,3-oxazol-2-ylmethyl)azetidin-3-yl]pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68358068
1-[3-(2-methyl-4-pyridinyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-(1,3-oxazol-2-ylmethyl)urea
CID 92044762
US10544143, Example 413
CID 138686220
US9884048, Example 35
CID 121416533
US10071079, Example 378
CID 132272254
US10071079, Example 440
CID 132272309
US10071079, Example 446
CID 132272315

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 90918850) is 5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is CCc1ccn2ncnc(Nc3ccc4c(cnn4Cc4ncco4)c3)c12.
What is the InChIKey of 5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is KRLGVHPRQSRPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N7O/c1-2-13-5-7-25-18(13)19(21-12-23-25)24-15-3-4-16-14(9-15)10-22-26(16)11-17-20-6-8-27-17/h3-10,12H,2,11H2,1H3,(H,21,23,24).
What are the key properties of 5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 359.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[1-(1,3-oxazol-2-ylmethyl)indazol-5-yl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 90918850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).