N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide

C24H22F2N6O2 — CID 11948442

IUPACN-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NCC(=O)Nc3cc(F)cc(F)c3)C4)c2n1
InChIInChI=1S/C24H22F2N6O2/c1-34-23-5-4-20-24(30-23)21(6-7-27-20)32-13-14-8-17(2-3-19(14)31-32)28-12-22(33)29-18-10-15(25)9-16(26)11-18/h4-7,9-11,13,17,28H,2-3,8,12H2,1H3,(H,29,33)
InChIKeyJYJWDMBNNZYCFH-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.19
Rot. Bonds6

About N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide

N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide (PubChem CID 11948442) has the molecular formula C24H22F2N6O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide
PubChem CID11948442
Molecular FormulaC24H22F2N6O2
Molecular Weight464.48 g/mol
Exact Mass464.18
IUPAC NameN-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide
SMILESCOc1ccc2nccc(-n3cc4c(n3)CCC(NCC(=O)Nc3cc(F)cc(F)c3)C4)c2n1
InChIInChI=1S/C24H22F2N6O2/c1-34-23-5-4-20-24(30-23)21(6-7-27-20)32-13-14-8-17(2-3-19(14)31-32)28-12-22(33)29-18-10-15(25)9-16(26)11-18/h4-7,9-11,13,17,28H,2-3,8,12H2,1H3,(H,29,33)
InChIKeyJYJWDMBNNZYCFH-UHFFFAOYSA-N
XLogP3.19
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide?
The IUPAC name of N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide (CID 11948442) is N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide?
The canonical SMILES for N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide is COc1ccc2nccc(-n3cc4c(n3)CCC(NCC(=O)Nc3cc(F)cc(F)c3)C4)c2n1.
What is the InChIKey of N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide?
The InChIKey is JYJWDMBNNZYCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O2/c1-34-23-5-4-20-24(30-23)21(6-7-27-20)32-13-14-8-17(2-3-19(14)31-32)28-12-22(33)29-18-10-15(25)9-16(26)11-18/h4-7,9-11,13,17,28H,2-3,8,12H2,1H3,(H,29,33).
What are the key properties of N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide?
N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide has a molecular weight of 464.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-2-[[2-(6-methoxy-1,5-naphthyridin-4-yl)-4,5,6,7-tetrahydroindazol-5-yl]amino]acetamide is sourced from PubChem (CID 11948442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).