N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

C21H24FN5O2 — CID 45165457

IUPACN-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1cc(CNC2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)on1
InChIInChI=1S/C21H24FN5O2/c1-13-9-17(29-26-13)12-23-16-7-8-19-18(10-16)20(25-27(19)2)21(28)24-11-14-3-5-15(22)6-4-14/h3-6,9,16,23H,7-8,10-12H2,1-2H3,(H,24,28)
InChIKeyFSVFDMGVAONZMS-UHFFFAOYSA-N
MW397.45 g/mol
LogP2.43
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide

N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 45165457) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID45165457
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCc1cc(CNC2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)on1
InChIInChI=1S/C21H24FN5O2/c1-13-9-17(29-26-13)12-23-16-7-8-19-18(10-16)20(25-27(19)2)21(28)24-11-14-3-5-15(22)6-4-14/h3-6,9,16,23H,7-8,10-12H2,1-2H3,(H,24,28)
InChIKeyFSVFDMGVAONZMS-UHFFFAOYSA-N
XLogP2.43
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropylamino)-N-[(4-fluorophenyl)methyl]-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165291
5-[(4-fluorophenyl)methylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162389
N-[(4-fluorophenyl)methyl]-1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 110389004
1-methyl-N-[(5-methylfuran-2-yl)methyl]-5-(2-methylpropylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162893
(5S)-N-[(2-fluorophenyl)methyl]-1-methyl-5-(pyridin-2-ylmethylamino)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26220766
(5R)-1-methyl-N-(2-morpholin-4-ylethyl)-5-[[3-(trifluoromethyl)phenyl]methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26227330
1-methyl-5-(3-methylbutylamino)-N-[(5-methylfuran-2-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160325
5-[2-(4-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)-N,1-dimethyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45160444
1-methyl-5-[(2-methylphenyl)methylamino]-N-(thiophen-2-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45162368
1-methyl-5-[(1-phenylcyclopentyl)methylamino]-N-(pyridin-4-ylmethyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 45165418
[1-ethyl-5-[(4-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-3-yl]-morpholin-4-ylmethanone
CID 45160528
(5R)-5-[(4-fluorophenyl)methylamino]-N,N-dimethyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 29088979

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 45165457) is N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is Cc1cc(CNC2CCc3c(c(C(=O)NCc4ccc(F)cc4)nn3C)C2)on1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is FSVFDMGVAONZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-13-9-17(29-26-13)12-23-16-7-8-19-18(10-16)20(25-27(19)2)21(28)24-11-14-3-5-15(22)6-4-14/h3-6,9,16,23H,7-8,10-12H2,1-2H3,(H,24,28).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methyl-5-[(3-methyl-1,2-oxazol-5-yl)methylamino]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 45165457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).