5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]

C17H14ClF2N3 — CID 175785242

IUPAC5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]
SMILES[2H]C1CC2(CC1[2H])C(C)=Nc1c(F)cc(-c3nc(Cl)ncc3F)cc12
InChIInChI=1S/C17H14ClF2N3/c1-9-17(4-2-3-5-17)11-6-10(7-12(19)15(11)22-9)14-13(20)8-21-16(18)23-14/h6-8H,2-5H2,1H3/i2D,3D
InChIKeyKXOUZBHEEIOXGK-PBNXXWCMSA-N
MW335.78 g/mol
LogP4.99
Rot. Bonds1

About 5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]

5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole] (PubChem CID 175785242) has the molecular formula C17H14ClF2N3 and a molecular weight of 335.78 g/mol. Its IUPAC name is 5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole].

Molecular Properties

Compound Name5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]
PubChem CID175785242
Molecular FormulaC17H14ClF2N3
Molecular Weight335.78 g/mol
Exact Mass335.10
IUPAC Name5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]
SMILES[2H]C1CC2(CC1[2H])C(C)=Nc1c(F)cc(-c3nc(Cl)ncc3F)cc12
InChIInChI=1S/C17H14ClF2N3/c1-9-17(4-2-3-5-17)11-6-10(7-12(19)15(11)22-9)14-13(20)8-21-16(18)23-14/h6-8H,2-5H2,1H3/i2D,3D
InChIKeyKXOUZBHEEIOXGK-PBNXXWCMSA-N
XLogP4.99
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.78
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole] with MolForge

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Related Compounds

6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole
CID 145177684
2-[6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-2-methylquinolin-4-yl]propan-2-ol
CID 163381282
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine
CID 129202792
6-(2-chloro-5-fluoropyrimidin-4-yl)-1-ethyl-4-fluoro-2-methylbenzimidazole;difluoromethane
CID 145177683
5-(2-chloro-5-fluoropyrimidin-4-yl)-7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyridine
CID 155281833
7-(2-chloro-5-fluoropyrimidin-4-yl)-5-fluoro-1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
CID 129102619
2-chloro-5-fluoro-4-(3-fluoro-4-methoxyphenyl)pyrimidine
CID 79079653
2-chloro-4-(3-chloro-4-fluorophenyl)-5-fluoropyrimidine
CID 86219997
6-(2-chloro-5-fluoropyrimidin-4-yl)-8-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CID 139390160
4-(2-chloro-5-fluoropyrimidin-4-yl)-N,N-dimethylaniline
CID 79073427
2-chloro-5-fluoro-4-(5-methyl-6-propan-2-yloxy-3-pyridinyl)pyrimidine
CID 175572906
2-chloro-4-(5-cyclopropyl-3-pyridinyl)-5-fluoropyrimidine
CID 58876902

Frequently Asked Questions

What is the IUPAC name of 5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]?
The IUPAC name of 5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole] (CID 175785242) is 5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole].
What is the SMILES notation for 5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]?
The canonical SMILES for 5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole] is [2H]C1CC2(CC1[2H])C(C)=Nc1c(F)cc(-c3nc(Cl)ncc3F)cc12.
What is the InChIKey of 5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]?
The InChIKey is KXOUZBHEEIOXGK-PBNXXWCMSA-N. The full InChI is InChI=1S/C17H14ClF2N3/c1-9-17(4-2-3-5-17)11-6-10(7-12(19)15(11)22-9)14-13(20)8-21-16(18)23-14/h6-8H,2-5H2,1H3/i2D,3D.
What are the key properties of 5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]?
5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole] has a molecular weight of 335.78 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(2-chloro-5-fluoropyrimidin-4-yl)-3,4-dideuterio-7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole] is sourced from PubChem (CID 175785242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).