(3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone

C19H19ClF2N4O — CID 155871914

IUPAC(3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C19H19ClF2N4O/c20-15-3-1-2-14(10-15)17(27)26-9-5-19(21,22)18(13-26)4-8-25(12-18)16-11-23-6-7-24-16/h1-3,6-7,10-11H,4-5,8-9,12-13H2
InChIKeyBEHRGZCQPCIPAM-UHFFFAOYSA-N
MW392.84 g/mol
LogP3.51
Rot. Bonds2

About (3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone

(3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone (PubChem CID 155871914) has the molecular formula C19H19ClF2N4O and a molecular weight of 392.84 g/mol. Its IUPAC name is (3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
PubChem CID155871914
Molecular FormulaC19H19ClF2N4O
Molecular Weight392.84 g/mol
Exact Mass392.12
IUPAC Name(3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
SMILESO=C(c1cccc(Cl)c1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1
InChIInChI=1S/C19H19ClF2N4O/c20-15-3-1-2-14(10-15)17(27)26-9-5-19(21,22)18(13-26)4-8-25(12-18)16-11-23-6-7-24-16/h1-3,6-7,10-11H,4-5,8-9,12-13H2
InChIKeyBEHRGZCQPCIPAM-UHFFFAOYSA-N
XLogP3.51
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.84
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[10,10-difluoro-2-(3-fluorophenyl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 134077535
(10,10-difluoro-2-pyridin-3-yl-2,7-diazaspiro[4.5]decan-7-yl)-pyridin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155856748
9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155834003
7-cyclopropylsulfonyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane
CID 131651713
(5R)-6,6-difluoro-2-pyrazin-2-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97374447
9-(3-chlorobenzoyl)-13-pyrimidin-2-yl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 131639578
6,6-difluoro-9-[(5-methylfuran-2-yl)methyl]-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;2,2,2-trifluoroacetic acid
CID 171697250
(10,10-difluoro-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl)-(1,2-oxazol-5-yl)methanone
CID 134077534
2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131658107
(4-chlorophenyl)-(4-pyrazin-2-yl-1,4-diazepan-1-yl)methanone
CID 122132459
6-[4-(3-chlorobenzoyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 133335007
[10,10-difluoro-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 134077901

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The IUPAC name of (3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone (CID 155871914) is (3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The canonical SMILES for (3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone is O=C(c1cccc(Cl)c1)N1CCC(F)(F)C2(CCN(c3cnccn3)C2)C1.
What is the InChIKey of (3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
The InChIKey is BEHRGZCQPCIPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF2N4O/c20-15-3-1-2-14(10-15)17(27)26-9-5-19(21,22)18(13-26)4-8-25(12-18)16-11-23-6-7-24-16/h1-3,6-7,10-11H,4-5,8-9,12-13H2.
What are the key properties of (3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone?
(3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone has a molecular weight of 392.84 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone is sourced from PubChem (CID 155871914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).