N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide

C26H36FN7O — CID 134187791

IUPACN-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide
SMILESC=C(N)c1cc(F)c(NC(CC)CNC(=O)CC(C)(C)C)nc1Nc1ccc2c(cnn2CC)c1
InChIInChI=1S/C26H36FN7O/c1-7-18(15-29-23(35)13-26(4,5)6)31-25-21(27)12-20(16(3)28)24(33-25)32-19-9-10-22-17(11-19)14-30-34(22)8-2/h9-12,14,18H,3,7-8,13,15,28H2,1-2,4-6H3,(H,29,35)(H2,31,32,33)
InChIKeyRCEXLJYMXSSDJX-UHFFFAOYSA-N
MW481.62 g/mol
LogP5.01
Rot. Bonds10

About N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide

N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide (PubChem CID 134187791) has the molecular formula C26H36FN7O and a molecular weight of 481.62 g/mol. Its IUPAC name is N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide
PubChem CID134187791
Molecular FormulaC26H36FN7O
Molecular Weight481.62 g/mol
Exact Mass481.30
IUPAC NameN-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide
SMILESC=C(N)c1cc(F)c(NC(CC)CNC(=O)CC(C)(C)C)nc1Nc1ccc2c(cnn2CC)c1
InChIInChI=1S/C26H36FN7O/c1-7-18(15-29-23(35)13-26(4,5)6)31-25-21(27)12-20(16(3)28)24(33-25)32-19-9-10-22-17(11-19)14-30-34(22)8-2/h9-12,14,18H,3,7-8,13,15,28H2,1-2,4-6H3,(H,29,35)(H2,31,32,33)
InChIKeyRCEXLJYMXSSDJX-UHFFFAOYSA-N
XLogP5.01
TPSA109.89 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.62
LogP ≤ 55.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide with MolForge

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Launch Full Analysis

Related Compounds

6-(3-aminobutan-2-ylamino)-2-[(1-ethylindazol-5-yl)amino]-5-fluoropyridine-3-carboxamide
CID 135305750
6-(4-aminohexan-3-ylamino)-5-fluoro-2-[(1-methylindazol-5-yl)amino]pyridine-3-carboxamide
CID 135305660
tert-butyl (3R,4R)-4-[[5-carbamoyl-3-fluoro-6-[(1-methylindazol-5-yl)amino]-2-pyridinyl]amino]-3-ethylpentanoate
CID 147863066
tert-butyl (4S)-4-[[5-cyano-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]-5-phenylpentanoate
CID 158350510
6-[[(2R)-1-aminobutan-2-yl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67509066
tert-butyl N-[(2S,3R)-3-[[5-cyano-6-[(1-ethylindazol-6-yl)amino]-3-fluoro-2-pyridinyl]amino]-5-methylhexan-2-yl]carbamate
CID 71617708
3-(1-aminoethenyl)-2-N-(2-ethyl-1H-phthalazin-6-yl)-5-fluoro-6-N-(2-methyl-1-thiophen-2-ylpropyl)pyridine-2,6-diamine
CID 134187784
3-(1-aminoethenyl)-2-N-[1-butyl-3-(2,2-difluoroethyl)indazol-5-yl]-5-fluoropyridine-2,6-diamine
CID 134187822
potassium (1-ethylindazol-5-yl)-trifluoroboranuide
CID 166000493
6-[[(2S,3R)-2-aminohexan-3-yl]amino]-2-[[1-(2,2-difluoroethyl)-3-propylindazol-5-yl]amino]-5-fluoropyridine-3-carboxamide
CID 154030087
6-(3-carbamoylpentan-2-ylamino)-5-fluoro-2-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 123699553
1-(1-ethylindazol-5-yl)-3-methylthiourea
CID 119082148

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide (CID 134187791) is N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide is C=C(N)c1cc(F)c(NC(CC)CNC(=O)CC(C)(C)C)nc1Nc1ccc2c(cnn2CC)c1.
What is the InChIKey of N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide?
The InChIKey is RCEXLJYMXSSDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN7O/c1-7-18(15-29-23(35)13-26(4,5)6)31-25-21(27)12-20(16(3)28)24(33-25)32-19-9-10-22-17(11-19)14-30-34(22)8-2/h9-12,14,18H,3,7-8,13,15,28H2,1-2,4-6H3,(H,29,35)(H2,31,32,33).
What are the key properties of N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide?
N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide has a molecular weight of 481.62 g/mol, XLogP of 5.01, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(1-aminoethenyl)-6-[(1-ethylindazol-5-yl)amino]-3-fluoro-2-pyridinyl]amino]butyl]-3,3-dimethylbutanamide is sourced from PubChem (CID 134187791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).