N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide

C25H22F2N4O2 — CID 156817986

IUPACN-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nn(Cc2ccc(F)cc2F)c2ccccc12)c1cccc(C(N)=O)c1
InChIInChI=1S/C25H22F2N4O2/c1-25(2,17-7-5-6-15(12-17)23(28)32)29-24(33)22-19-8-3-4-9-21(19)31(30-22)14-16-10-11-18(26)13-20(16)27/h3-13H,14H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyLTMNRJXKJJYZSX-UHFFFAOYSA-N
MW448.47 g/mol
LogP4.13
Rot. Bonds6

About N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide

N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide (PubChem CID 156817986) has the molecular formula C25H22F2N4O2 and a molecular weight of 448.47 g/mol. Its IUPAC name is N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide
PubChem CID156817986
Molecular FormulaC25H22F2N4O2
Molecular Weight448.47 g/mol
Exact Mass448.17
IUPAC NameN-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide
SMILESCC(C)(NC(=O)c1nn(Cc2ccc(F)cc2F)c2ccccc12)c1cccc(C(N)=O)c1
InChIInChI=1S/C25H22F2N4O2/c1-25(2,17-7-5-6-15(12-17)23(28)32)29-24(33)22-19-8-3-4-9-21(19)31(30-22)14-16-10-11-18(26)13-20(16)27/h3-13H,14H2,1-2H3,(H2,28,32)(H,29,33)
InChIKeyLTMNRJXKJJYZSX-UHFFFAOYSA-N
XLogP4.13
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide?
The IUPAC name of N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide (CID 156817986) is N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide?
The canonical SMILES for N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide is CC(C)(NC(=O)c1nn(Cc2ccc(F)cc2F)c2ccccc12)c1cccc(C(N)=O)c1.
What is the InChIKey of N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide?
The InChIKey is LTMNRJXKJJYZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4O2/c1-25(2,17-7-5-6-15(12-17)23(28)32)29-24(33)22-19-8-3-4-9-21(19)31(30-22)14-16-10-11-18(26)13-20(16)27/h3-13H,14H2,1-2H3,(H2,28,32)(H,29,33).
What are the key properties of N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide?
N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide has a molecular weight of 448.47 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-carbamoylphenyl)propan-2-yl]-1-[(2,4-difluorophenyl)methyl]indazole-3-carboxamide is sourced from PubChem (CID 156817986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).