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

C20H25FN4O2 — CID 130214502

IUPAC1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-morpholin-2-ylethanone
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CNCCO1)C2
InChIInChI=1S/C20H25FN4O2/c1-14-18-6-8-24(20(26)10-17-11-22-7-9-27-17)13-19(18)25(23-14)12-15-2-4-16(21)5-3-15/h2-5,17,22H,6-13H2,1H3
InChIKeyVSOFAYLDJXXJPO-UHFFFAOYSA-N
MW372.44 g/mol
LogP1.64
Rot. Bonds4

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

1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-morpholin-2-ylethanone (PubChem CID 130214502) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 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-morpholin-2-ylethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-morpholin-2-ylethanone
PubChem CID130214502
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-morpholin-2-ylethanone
SMILESCc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CNCCO1)C2
InChIInChI=1S/C20H25FN4O2/c1-14-18-6-8-24(20(26)10-17-11-22-7-9-27-17)13-19(18)25(23-14)12-15-2-4-16(21)5-3-15/h2-5,17,22H,6-13H2,1H3
InChIKeyVSOFAYLDJXXJPO-UHFFFAOYSA-N
XLogP1.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-methylpyrrolidin-3-yl)ethanone
CID 130214516
1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-(1-propan-2-ylpyrrolidin-3-yl)ethanone;1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-pyrrolidin-3-ylethanone;hydrochloride
CID 159064360
4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carbonitrile
CID 130214604
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 130214391
tert-butyl 1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;ethane
CID 144973678
tert-butyl 1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 130214335
2-(4-ethoxycarbonylcyclohexyl)acetic acid;ethyl 4-[2-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]cyclohexane-1-carboxylate;1-[(4-fluorophenyl)methyl]-3-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine;hydrochloride
CID 157227139
2-[3-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carbonyl]pyrrolidin-1-yl]acetic acid
CID 130214591
1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]propan-1-one
CID 144973664
6-(2-cyclohexylacetyl)-1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 144973688
2-chloro-1-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]ethanone
CID 118561573
1-[(4-methoxyphenyl)methyl]-4-(2-morpholin-2-ylacetyl)piperazin-2-one
CID 70713784

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-morpholin-2-ylethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-morpholin-2-ylethanone (CID 130214502) is 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-morpholin-2-ylethanone.
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-morpholin-2-ylethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-morpholin-2-ylethanone is Cc1nn(Cc2ccc(F)cc2)c2c1CCN(C(=O)CC1CNCCO1)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-morpholin-2-ylethanone?
The InChIKey is VSOFAYLDJXXJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-14-18-6-8-24(20(26)10-17-11-22-7-9-27-17)13-19(18)25(23-14)12-15-2-4-16(21)5-3-15/h2-5,17,22H,6-13H2,1H3.
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-morpholin-2-ylethanone?
1-[1-[(4-fluorophenyl)methyl]-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-morpholin-2-ylethanone has a molecular weight of 372.44 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 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-morpholin-2-ylethanone is sourced from PubChem (CID 130214502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).