2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone

C29H34FN5O2 — CID 147281084

IUPAC2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone
SMILESCc1c(C(=O)Cc2cnc(C3=CCC(N4CCOCC4)CC3)c(F)c2)cnn1-c1ccc(C(C)C)cn1
InChIInChI=1S/C29H34FN5O2/c1-19(2)23-6-9-28(31-17-23)35-20(3)25(18-33-35)27(36)15-21-14-26(30)29(32-16-21)22-4-7-24(8-5-22)34-10-12-37-13-11-34/h4,6,9,14,16-19,24H,5,7-8,10-13,15H2,1-3H3
InChIKeyCSHVSBMSXZUEBM-UHFFFAOYSA-N
MW503.62 g/mol
LogP4.93
Rot. Bonds7

About 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone

2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone (PubChem CID 147281084) has the molecular formula C29H34FN5O2 and a molecular weight of 503.62 g/mol. Its IUPAC name is 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone.

Molecular Properties

Compound Name2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone
PubChem CID147281084
Molecular FormulaC29H34FN5O2
Molecular Weight503.62 g/mol
Exact Mass503.27
IUPAC Name2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone
SMILESCc1c(C(=O)Cc2cnc(C3=CCC(N4CCOCC4)CC3)c(F)c2)cnn1-c1ccc(C(C)C)cn1
InChIInChI=1S/C29H34FN5O2/c1-19(2)23-6-9-28(31-17-23)35-20(3)25(18-33-35)27(36)15-21-14-26(30)29(32-16-21)22-4-7-24(8-5-22)34-10-12-37-13-11-34/h4,6,9,14,16-19,24H,5,7-8,10-13,15H2,1-3H3
InChIKeyCSHVSBMSXZUEBM-UHFFFAOYSA-N
XLogP4.93
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.62
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone with MolForge

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Related Compounds

8-[4-[2-[4-[4-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 138753209
N-[4-(2-morpholin-4-ylethoxyamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53257442
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[4-(morpholin-4-ylmethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66719910
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129756
N-[2-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]-5-(trifluoromethyl)-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129767
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-methyl-4-pyridinyl]-6-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 165129879
US10245267, Example 1126
CID 90456376
N-[4-methyl-3-[2-(1-methylpyrazol-4-yl)-6-morpholin-4-ylpyridin-4-yl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
CID 118887118
tert-butyl 4-{1-(3-fluorophenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
CID 16024256
2-[4-(5-Fluoro-2-pyridinyl)piperazin-1-yl]-1-pyrazolo[1,5-a]pyridin-3-ylethanone
CID 71601990
8-[4-[2-[4-[3-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 155510449
8-[4-[2-[4-[3-(2-morpholin-4-ylethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 155514456

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone?
The IUPAC name of 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone (CID 147281084) is 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone.
What is the SMILES notation for 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone?
The canonical SMILES for 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone is Cc1c(C(=O)Cc2cnc(C3=CCC(N4CCOCC4)CC3)c(F)c2)cnn1-c1ccc(C(C)C)cn1.
What is the InChIKey of 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone?
The InChIKey is CSHVSBMSXZUEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34FN5O2/c1-19(2)23-6-9-28(31-17-23)35-20(3)25(18-33-35)27(36)15-21-14-26(30)29(32-16-21)22-4-7-24(8-5-22)34-10-12-37-13-11-34/h4,6,9,14,16-19,24H,5,7-8,10-13,15H2,1-3H3.
What are the key properties of 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone?
2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone has a molecular weight of 503.62 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-6-(4-morpholin-4-ylcyclohexen-1-yl)-3-pyridinyl]-1-[5-methyl-1-(5-propan-2-yl-2-pyridinyl)pyrazol-4-yl]ethanone is sourced from PubChem (CID 147281084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).