4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide

C25H23F3N4O3 — CID 122413548

IUPAC4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4c(F)ccc(F)c43)c(F)c2)cn1
InChIInChI=1S/C25H23F3N4O3/c1-31-10-16(9-29-31)14-2-3-15(20(28)8-14)11-32-12-17(23-18(26)4-5-19(27)24(23)32)25(34)30-21-6-7-35-13-22(21)33/h2-5,8-10,12,21-22,33H,6-7,11,13H2,1H3,(H,30,34)/t21-,22-/m0/s1
InChIKeyIXKGHXGPWGZRII-VXKWHMMOSA-N
MW484.48 g/mol
LogP3.39
Rot. Bonds5

About 4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide

4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide (PubChem CID 122413548) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is 4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide.

Molecular Properties

Compound Name4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
PubChem CID122413548
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC Name4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide
SMILESCn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4c(F)ccc(F)c43)c(F)c2)cn1
InChIInChI=1S/C25H23F3N4O3/c1-31-10-16(9-29-31)14-2-3-15(20(28)8-14)11-32-12-17(23-18(26)4-5-19(27)24(23)32)25(34)30-21-6-7-35-13-22(21)33/h2-5,8-10,12,21-22,33H,6-7,11,13H2,1H3,(H,30,34)/t21-,22-/m0/s1
InChIKeyIXKGHXGPWGZRII-VXKWHMMOSA-N
XLogP3.39
TPSA81.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide?
The IUPAC name of 4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide (CID 122413548) is 4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide.
What is the SMILES notation for 4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide?
The canonical SMILES for 4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide is Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4c(F)ccc(F)c43)c(F)c2)cn1.
What is the InChIKey of 4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide?
The InChIKey is IXKGHXGPWGZRII-VXKWHMMOSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-31-10-16(9-29-31)14-2-3-15(20(28)8-14)11-32-12-17(23-18(26)4-5-19(27)24(23)32)25(34)30-21-6-7-35-13-22(21)33/h2-5,8-10,12,21-22,33H,6-7,11,13H2,1H3,(H,30,34)/t21-,22-/m0/s1.
What are the key properties of 4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide?
4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-1-[[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-N-[(3R,4S)-3-hydroxyoxan-4-yl]indole-3-carboxamide is sourced from PubChem (CID 122413548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).