N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide

C23H21N5O3 — CID 56659737

IUPACN-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3ccco3)c(C)c12
InChIInChI=1S/C23H21N5O3/c1-13-5-6-15(23(30)26-16-7-8-16)10-18(13)27-22-20-14(2)17(11-28(20)25-12-24-22)21(29)19-4-3-9-31-19/h3-6,9-12,16H,7-8H2,1-2H3,(H,26,30)(H,24,25,27)
InChIKeyVBPADMHWZCSSBO-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.81
Rot. Bonds6

About N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide

N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide (PubChem CID 56659737) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide
PubChem CID56659737
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3ccco3)c(C)c12
InChIInChI=1S/C23H21N5O3/c1-13-5-6-15(23(30)26-16-7-8-16)10-18(13)27-22-20-14(2)17(11-28(20)25-12-24-22)21(29)19-4-3-9-31-19/h3-6,9-12,16H,7-8H2,1-2H3,(H,26,30)(H,24,25,27)
InChIKeyVBPADMHWZCSSBO-UHFFFAOYSA-N
XLogP3.81
TPSA101.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N-isopropyl-benzamide
CID 44403126
3-[[6-(2-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide
CID 56663286
3-[[6-(3-methoxybenzoyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-N,4-dimethylbenzamide
CID 56683623
N-[3-[3-(2-furanylcarbonyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]cyclopropanecarboxamide
CID 13824242
4-amino-7-(2-methoxy-4-pyridinyl)-N-[(3S)-oxolan-3-yl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225247
4-amino-N-(4-aminocyclohexyl)-7-(2-propan-2-yloxy-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 71225395
US10813930, Ex. No. 91
CID 88574132
5-(4-acetylphenyl)-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)furan-2-carboxamide
CID 17505852
N-[4-[6-(furan-3-yl)imidazo[1,2-b]pyridazin-3-yl]phenyl]acetamide
CID 155541394
N-(2-fluoro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)phenyl)furan-2-carboxamide
CID 16886175
US10077269, Example 38
CID 126700168
6-(furan-2-yl)-N-[3-(methylcarbamoyl)phenyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 17517011

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide (CID 56659737) is N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1Nc1ncnn2cc(C(=O)c3ccco3)c(C)c12.
What is the InChIKey of N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide?
The InChIKey is VBPADMHWZCSSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c1-13-5-6-15(23(30)26-16-7-8-16)10-18(13)27-22-20-14(2)17(11-28(20)25-12-24-22)21(29)19-4-3-9-31-19/h3-6,9-12,16H,7-8H2,1-2H3,(H,26,30)(H,24,25,27).
What are the key properties of N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide?
N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide has a molecular weight of 415.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[6-(furan-2-carbonyl)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]-4-methylbenzamide is sourced from PubChem (CID 56659737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).