(2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide

C19H18ClF2N7O — CID 166456823

IUPAC(2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnc(-c2ccc([C@@H](C(=O)Nc3cncc(Cl)n3)[C@H]3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C19H18ClF2N7O/c1-29-27-17(26-28-29)12-4-2-11(3-5-12)16(13-6-7-19(21,22)8-13)18(30)25-15-10-23-9-14(20)24-15/h2-5,9-10,13,16H,6-8H2,1H3,(H,24,25,30)/t13-,16+/m0/s1
InChIKeyUMCPABQCEGGBSY-XJKSGUPXSA-N
MW433.85 g/mol
LogP3.48
Rot. Bonds5

About (2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide

(2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide (PubChem CID 166456823) has the molecular formula C19H18ClF2N7O and a molecular weight of 433.85 g/mol. Its IUPAC name is (2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name(2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
PubChem CID166456823
Molecular FormulaC19H18ClF2N7O
Molecular Weight433.85 g/mol
Exact Mass433.12
IUPAC Name(2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
SMILESCn1nnc(-c2ccc([C@@H](C(=O)Nc3cncc(Cl)n3)[C@H]3CCC(F)(F)C3)cc2)n1
InChIInChI=1S/C19H18ClF2N7O/c1-29-27-17(26-28-29)12-4-2-11(3-5-12)16(13-6-7-19(21,22)8-13)18(30)25-15-10-23-9-14(20)24-15/h2-5,9-10,13,16H,6-8H2,1H3,(H,24,25,30)/t13-,16+/m0/s1
InChIKeyUMCPABQCEGGBSY-XJKSGUPXSA-N
XLogP3.48
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.85
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456724
N-(5-chloro-4-methyl-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456660
2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 172726871
(2S)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 166456764
(2S)-N-(5-bromo-1,3,4-thiadiazol-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456667
2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 166456606
2-(3,3-difluorocyclopentyl)-N-[4-(2-hydroxypropan-2-yl)-1,3-thiazol-2-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 166456610
2-(3,3-difluorocyclopentyl)-2-[4-(2-methyltetrazol-5-yl)phenyl]-N-[3-(trifluoromethyl)-1,2-oxazol-5-yl]acetamide
CID 166456807
2-(3,3-difluorocyclopentyl)-N-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide
CID 172790354
N-(6-chloro-2-pyridinyl)-2-(3,3-difluorocyclopentyl)-2-[4-[(Z)-N'-(methylamino)carbamimidoyl]phenyl]acetamide
CID 167286794
(2R)-N-(5-chloropyrazin-2-yl)-2-(3,4-dicyanophenyl)-2-[(1R)-3,3-difluorocyclopentyl]acetamide
CID 166456827
(2S)-2-(3,4-dicyanophenyl)-2-[(1S)-3,3-difluorocyclopentyl]-N-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 166456590

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The IUPAC name of (2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide (CID 166456823) is (2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide.
What is the SMILES notation for (2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The canonical SMILES for (2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide is Cn1nnc(-c2ccc([C@@H](C(=O)Nc3cncc(Cl)n3)[C@H]3CCC(F)(F)C3)cc2)n1.
What is the InChIKey of (2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
The InChIKey is UMCPABQCEGGBSY-XJKSGUPXSA-N. The full InChI is InChI=1S/C19H18ClF2N7O/c1-29-27-17(26-28-29)12-4-2-11(3-5-12)16(13-6-7-19(21,22)8-13)18(30)25-15-10-23-9-14(20)24-15/h2-5,9-10,13,16H,6-8H2,1H3,(H,24,25,30)/t13-,16+/m0/s1.
What are the key properties of (2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide?
(2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide has a molecular weight of 433.85 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(6-chloropyrazin-2-yl)-2-[(1S)-3,3-difluorocyclopentyl]-2-[4-(2-methyltetrazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 166456823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).