tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate

C26H35FN4O3 — CID 130214597

IUPACtert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C26H35FN4O3/c1-18-22-11-14-30(17-23(22)31(28-18)16-20-5-7-21(27)8-6-20)24(32)15-19-9-12-29(13-10-19)25(33)34-26(2,3)4/h5-8,19H,9-17H2,1-4H3
InChIKeyLFTQYOSJOHAUEB-UHFFFAOYSA-N
MW470.59 g/mol
LogP4.30
Rot. Bonds4

About tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 130214597) has the molecular formula C26H35FN4O3 and a molecular weight of 470.59 g/mol. Its IUPAC name is tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate
PubChem CID130214597
Molecular FormulaC26H35FN4O3
Molecular Weight470.59 g/mol
Exact Mass470.27
IUPAC Nametert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C2
InChIInChI=1S/C26H35FN4O3/c1-18-22-11-14-30(17-23(22)31(28-18)16-20-5-7-21(27)8-6-20)24(32)15-19-9-12-29(13-10-19)25(33)34-26(2,3)4/h5-8,19H,9-17H2,1-4H3
InChIKeyLFTQYOSJOHAUEB-UHFFFAOYSA-N
XLogP4.30
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.59
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate (CID 130214597) is tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCN(C(=O)OC(C)(C)C)CC1)C2.
What is the InChIKey of tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is LFTQYOSJOHAUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O3/c1-18-22-11-14-30(17-23(22)31(28-18)16-20-5-7-21(27)8-6-20)24(32)15-19-9-12-29(13-10-19)25(33)34-26(2,3)4/h5-8,19H,9-17H2,1-4H3.
What are the key properties of tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 470.59 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 130214597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).