[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone

C19H26FN5O — CID 138806201

IUPAC[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESCc1cc(C)n(CC(C)N2CCCN(C(=O)c3cncc(F)c3)CC2)n1
InChIInChI=1S/C19H26FN5O/c1-14-9-15(2)25(22-14)13-16(3)23-5-4-6-24(8-7-23)19(26)17-10-18(20)12-21-11-17/h9-12,16H,4-8,13H2,1-3H3
InChIKeyGAQGGBMCLLKMPV-UHFFFAOYSA-N
MW359.45 g/mol
LogP2.27
Rot. Bonds4

About [4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone

[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone (PubChem CID 138806201) has the molecular formula C19H26FN5O and a molecular weight of 359.45 g/mol. Its IUPAC name is [4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone
PubChem CID138806201
Molecular FormulaC19H26FN5O
Molecular Weight359.45 g/mol
Exact Mass359.21
IUPAC Name[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone
SMILESCc1cc(C)n(CC(C)N2CCCN(C(=O)c3cncc(F)c3)CC2)n1
InChIInChI=1S/C19H26FN5O/c1-14-9-15(2)25(22-14)13-16(3)23-5-4-6-24(8-7-23)19(26)17-10-18(20)12-21-11-17/h9-12,16H,4-8,13H2,1-3H3
InChIKeyGAQGGBMCLLKMPV-UHFFFAOYSA-N
XLogP2.27
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(5-fluoropyridine-3-carbonyl)piperazin-1-yl]pentanenitrile
CID 104785831
(2-fluoro-3-methoxyphenyl)-[4-(5-fluoropyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 137334700
(5-fluoro-3-pyridinyl)-[2-(1-hydroxypropyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methanone
CID 90649132
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(2-fluorophenyl)piperazine
CID 131935560
(4-cyclopentylpiperazin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 121184691
(5-fluoro-3-pyridinyl)-[4-(propan-2-yloxymethyl)piperidin-1-yl]methanone
CID 118790419
[4-(1,4-dioxan-2-ylmethyl)-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 134706882
(5-fluoro-3-pyridinyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 113265528
[4-(4-aminobutyl)piperazin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 104785306
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 49013956
9-(5-fluoropyridine-3-carbonyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 131658395
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55257685

Frequently Asked Questions

What is the IUPAC name of [4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The IUPAC name of [4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone (CID 138806201) is [4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone.
What is the SMILES notation for [4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The canonical SMILES for [4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone is Cc1cc(C)n(CC(C)N2CCCN(C(=O)c3cncc(F)c3)CC2)n1.
What is the InChIKey of [4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone?
The InChIKey is GAQGGBMCLLKMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O/c1-14-9-15(2)25(22-14)13-16(3)23-5-4-6-24(8-7-23)19(26)17-10-18(20)12-21-11-17/h9-12,16H,4-8,13H2,1-3H3.
What are the key properties of [4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone?
[4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone has a molecular weight of 359.45 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1,4-diazepan-1-yl]-(5-fluoro-3-pyridinyl)methanone is sourced from PubChem (CID 138806201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).