N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide

C19H16F2N6O2 — CID 171496996

IUPACN-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)Nc2ccc(F)c(F)c2C12CC2)c1cnc(C#N)cn1
InChIInChI=1S/C19H16F2N6O2/c1-10(14-8-23-11(6-22)7-24-14)25-15(28)9-27-18(29)26-13-3-2-12(20)17(21)16(13)19(27)4-5-19/h2-3,7-8,10H,4-5,9H2,1H3,(H,25,28)(H,26,29)/t10-/m1/s1
InChIKeyXJQSSNOSFGCITF-SNVBAGLBSA-N
MW398.37 g/mol
LogP2.34
Rot. Bonds4

About N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide

N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide (PubChem CID 171496996) has the molecular formula C19H16F2N6O2 and a molecular weight of 398.37 g/mol. Its IUPAC name is N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
PubChem CID171496996
Molecular FormulaC19H16F2N6O2
Molecular Weight398.37 g/mol
Exact Mass398.13
IUPAC NameN-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)Nc2ccc(F)c(F)c2C12CC2)c1cnc(C#N)cn1
InChIInChI=1S/C19H16F2N6O2/c1-10(14-8-23-11(6-22)7-24-14)25-15(28)9-27-18(29)26-13-3-2-12(20)17(21)16(13)19(27)4-5-19/h2-3,7-8,10H,4-5,9H2,1H3,(H,25,28)(H,26,29)/t10-/m1/s1
InChIKeyXJQSSNOSFGCITF-SNVBAGLBSA-N
XLogP2.34
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.37
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide;molecular hydrogen
CID 171497049
N-[(1R)-1-(5-cyano-3-methylpyrazin-2-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
CID 171497613
N-[1-(6-cyano-4-methylpyridazin-3-yl)ethyl]-2-(6-fluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide
CID 171497267
N-[1-(5-cyano-3-methylpyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497555
N-[(1S)-1-(5-cyano-3-methylpyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 171497044
N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide
CID 171497341
2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-isoquinolin-3-ylethyl]acetamide
CID 171497608
N-[(1R)-1-(3,5-difluoro-2-pyridinyl)ethyl]-2-(6-methoxy-2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide
CID 171497493
2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[1-(3,5-difluoro-2-pyridinyl)ethyl]acetamide
CID 171497423
2-(5,6-difluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1S)-1-(5-fluoro-6-methylpyrimidin-4-yl)ethyl]acetamide
CID 171496860
N-[(1S)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)acetamide
CID 177351352
2-(7-chloro-5-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-N-[(1R)-1-(4-cyano-2-fluorophenyl)ethyl]acetamide
CID 176748858

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide (CID 171496996) is N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide is C[C@@H](NC(=O)CN1C(=O)Nc2ccc(F)c(F)c2C12CC2)c1cnc(C#N)cn1.
What is the InChIKey of N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide?
The InChIKey is XJQSSNOSFGCITF-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H16F2N6O2/c1-10(14-8-23-11(6-22)7-24-14)25-15(28)9-27-18(29)26-13-3-2-12(20)17(21)16(13)19(27)4-5-19/h2-3,7-8,10H,4-5,9H2,1H3,(H,25,28)(H,26,29)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide?
N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide has a molecular weight of 398.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-cyanopyrazin-2-yl)ethyl]-2-(5,6-difluoro-2-oxospiro[1H-quinazoline-4,1'-cyclopropane]-3-yl)acetamide is sourced from PubChem (CID 171496996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).