3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide

C21H24FN5O2 — CID 175097390

IUPAC3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1CC1=c2cc(C3CCCN(C(N)=O)C3)cc(F)c2=NC1=O
InChIInChI=1S/C21H24FN5O2/c1-11-15(12(2)26(3)25-11)9-17-16-7-14(8-18(22)19(16)24-20(17)28)13-5-4-6-27(10-13)21(23)29/h7-8,13H,4-6,9-10H2,1-3H3,(H2,23,29)
InChIKeyKAXHDHPNBPWZNX-UHFFFAOYSA-N
MW397.45 g/mol
LogP0.99
Rot. Bonds3

About 3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide

3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide (PubChem CID 175097390) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide
PubChem CID175097390
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide
SMILESCc1nn(C)c(C)c1CC1=c2cc(C3CCCN(C(N)=O)C3)cc(F)c2=NC1=O
InChIInChI=1S/C21H24FN5O2/c1-11-15(12(2)26(3)25-11)9-17-16-7-14(8-18(22)19(16)24-20(17)28)13-5-4-6-27(10-13)21(23)29/h7-8,13H,4-6,9-10H2,1-3H3,(H2,23,29)
InChIKeyKAXHDHPNBPWZNX-UHFFFAOYSA-N
XLogP0.99
TPSA93.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-dimethyl-4-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]pyrazol-1-yl]-4-methyl-1H-pyrimidin-6-one
CID 136253209
N-methyl-1-(6-oxo-1H-pyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
CID 53203851
N-methyl-1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]piperidine-3-carboxamide
CID 53203989
N-Methyl-4-{1-[3-(1,3,5-trimethyl-1H-pyrazol-4-YL)propanoyl]pyrrolidin-3-YL}piperidine-1-carboxamide
CID 124074576
(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide
CID 97065153
3-[1-[(E)-N-(dimethylamino)-C-methylcarbonimidoyl]-3,5-dimethylpyrazol-4-yl]-1-[4-[(2E,4Z)-4-fluoro-2,5,6-trimethylhepta-2,4,6-trienyl]piperazin-1-yl]propan-1-one
CID 156035750
2-(5-fluorocyclohexa-2,4-dien-1-yl)-7-(fluoromethyl)-5-N-[(2S)-3-methylbutan-2-yl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 163449521
(2R)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-1-one
CID 125421676
(2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-1-one
CID 125421677
3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-1-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)-2-methylpropan-1-one
CID 126839781
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)propanamide
CID 133600419
4-ethyl-2-methyl-5-{1-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanoyl]piperidin-3-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56704334

Frequently Asked Questions

What is the IUPAC name of 3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide?
The IUPAC name of 3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide (CID 175097390) is 3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide is Cc1nn(C)c(C)c1CC1=c2cc(C3CCCN(C(N)=O)C3)cc(F)c2=NC1=O.
What is the InChIKey of 3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide?
The InChIKey is KAXHDHPNBPWZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-11-15(12(2)26(3)25-11)9-17-16-7-14(8-18(22)19(16)24-20(17)28)13-5-4-6-27(10-13)21(23)29/h7-8,13H,4-6,9-10H2,1-3H3,(H2,23,29).
What are the key properties of 3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide?
3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide has a molecular weight of 397.45 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-fluoro-2-oxo-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]indol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 175097390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).