[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate

C23H29FN4O4 — CID 164617252

IUPAC[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1
InChIInChI=1S/C23H29FN4O4/c1-23(2,3)32-22(30)26-10-7-19(8-11-26)31-21(29)27-12-9-20-16(15-27)14-25-28(20)18-6-4-5-17(24)13-18/h4-6,13-14,19H,7-12,15H2,1-3H3
InChIKeyWSMRPJONOSBFAO-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.91
Rot. Bonds2

About [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate

[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate (PubChem CID 164617252) has the molecular formula C23H29FN4O4 and a molecular weight of 444.51 g/mol. Its IUPAC name is [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate
PubChem CID164617252
Molecular FormulaC23H29FN4O4
Molecular Weight444.51 g/mol
Exact Mass444.22
IUPAC Name[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1
InChIInChI=1S/C23H29FN4O4/c1-23(2,3)32-22(30)26-10-7-19(8-11-26)31-21(29)27-12-9-20-16(15-27)14-25-28(20)18-6-4-5-17(24)13-18/h4-6,13-14,19H,7-12,15H2,1-3H3
InChIKeyWSMRPJONOSBFAO-UHFFFAOYSA-N
XLogP3.91
TPSA76.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-(1-phenylpyrazol-3-yl)piperidine-1-carboxylate
CID 137654372
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperazine-1-carboxylate
CID 89682527
1-[1-(3-fluorophenyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one
CID 156022397
Tert-butyl 4-[1-(3-fluorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16023950
1,1,1-trifluoropropan-2-yl (1S,5R)-6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 137655811
tert-butyl 4-[[1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl]amino]piperidine-1-carboxylate
CID 164612890
1-[(7R)-1-(4-fluorophenyl)-7-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]-2-hydroxy-2-methylpropan-1-one
CID 126527246
tert-butyl 4-[1-(3-fluorophenyl)-4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 16023949
tert-butyl 4-[1-(4-fluorophenyl)-4-(piperidine-1-carbonyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 16023671
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(3-fluoro-4-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 71656214
Tert-butyl 4-[6-(2-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264016
Tert-butyl 4-[6-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]piperazine-1-carboxylate
CID 168264211

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate (CID 164617252) is [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate is CC(C)(C)OC(=O)N1CCC(OC(=O)N2CCc3c(cnn3-c3cccc(F)c3)C2)CC1.
What is the InChIKey of [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate?
The InChIKey is WSMRPJONOSBFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O4/c1-23(2,3)32-22(30)26-10-7-19(8-11-26)31-21(29)27-12-9-20-16(15-27)14-25-28(20)18-6-4-5-17(24)13-18/h4-6,13-14,19H,7-12,15H2,1-3H3.
What are the key properties of [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate?
[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate has a molecular weight of 444.51 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl] 1-(3-fluorophenyl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 164617252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).