1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone

C26H35FN4O2 — CID 130214615

IUPAC1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(N3CCOCC3)CC1)C2
InChIInChI=1S/C26H35FN4O2/c1-19-24-10-11-30(18-25(24)31(28-19)17-21-2-6-22(27)7-3-21)26(32)16-20-4-8-23(9-5-20)29-12-14-33-15-13-29/h2-3,6-7,20,23H,4-5,8-18H2,1H3
InChIKeyVAHMAXPRJVZZJA-UHFFFAOYSA-N
MW454.59 g/mol
LogP3.54
Rot. Bonds5

About 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone

1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone (PubChem CID 130214615) has the molecular formula C26H35FN4O2 and a molecular weight of 454.59 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone
PubChem CID130214615
Molecular FormulaC26H35FN4O2
Molecular Weight454.59 g/mol
Exact Mass454.27
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(N3CCOCC3)CC1)C2
InChIInChI=1S/C26H35FN4O2/c1-19-24-10-11-30(18-25(24)31(28-19)17-21-2-6-22(27)7-3-21)26(32)16-20-4-8-23(9-5-20)29-12-14-33-15-13-29/h2-3,6-7,20,23H,4-5,8-18H2,1H3
InChIKeyVAHMAXPRJVZZJA-UHFFFAOYSA-N
XLogP3.54
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone (CID 130214615) is 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CCC(N3CCOCC3)CC1)C2.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone?
The InChIKey is VAHMAXPRJVZZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O2/c1-19-24-10-11-30(18-25(24)31(28-19)17-21-2-6-22(27)7-3-21)26(32)16-20-4-8-23(9-5-20)29-12-14-33-15-13-29/h2-3,6-7,20,23H,4-5,8-18H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone?
1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone has a molecular weight of 454.59 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(4-morpholin-4-ylcyclohexyl)ethanone is sourced from PubChem (CID 130214615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).