4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline

C32H32F2N6O — CID 167225177

IUPAC4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline
SMILESC[C@@H]1Cn2cnc(F)c2CN1c1nc(OC[C@@H]2CCCCN2C)nc2cc(-c3cccc4cccc(F)c34)ccc12
InChIInChI=1S/C32H32F2N6O/c1-20-16-39-19-35-30(34)28(39)17-40(20)31-25-13-12-22(24-10-5-7-21-8-6-11-26(33)29(21)24)15-27(25)36-32(37-31)41-18-23-9-3-4-14-38(23)2/h5-8,10-13,15,19-20,23H,3-4,9,14,16-18H2,1-2H3/t20-,23+/m1/s1
InChIKeyWGNHEJGURGGTRP-OFNKIYASSA-N
MW554.65 g/mol
LogP6.20
Rot. Bonds5

About 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline

4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline (PubChem CID 167225177) has the molecular formula C32H32F2N6O and a molecular weight of 554.65 g/mol. Its IUPAC name is 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline.

Molecular Properties

Compound Name4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline
PubChem CID167225177
Molecular FormulaC32H32F2N6O
Molecular Weight554.65 g/mol
Exact Mass554.26
IUPAC Name4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline
SMILESC[C@@H]1Cn2cnc(F)c2CN1c1nc(OC[C@@H]2CCCCN2C)nc2cc(-c3cccc4cccc(F)c34)ccc12
InChIInChI=1S/C32H32F2N6O/c1-20-16-39-19-35-30(34)28(39)17-40(20)31-25-13-12-22(24-10-5-7-21-8-6-11-26(33)29(21)24)15-27(25)36-32(37-31)41-18-23-9-3-4-14-38(23)2/h5-8,10-13,15,19-20,23H,3-4,9,14,16-18H2,1-2H3/t20-,23+/m1/s1
InChIKeyWGNHEJGURGGTRP-OFNKIYASSA-N
XLogP6.20
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.65
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline with MolForge

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Related Compounds

4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]quinazoline
CID 167225170
1-[(3S)-4-[7-(8-chloronaphthalen-1-yl)-6-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-4-yl]-3-methylpiperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 171412972
4-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 162766495
1-[(3R)-4-[7-(8-chloronaphthalen-1-yl)-8-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 154643923
2-[4-[7-(8-chloronaphthalen-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 170310655
3-[4-(3,8-diazabicyclo[3.2.1]octan-8-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]-2-methylaniline
CID 162766167
2-fluoro-1-[(3S)-4-[6-fluoro-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-(5,6,7,8-tetrahydronaphthalen-1-yl)quinazolin-4-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 171412509
6-chloro-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazoline
CID 166063652
1-[(3S)-4-[4-(8-chloronaphthalen-1-yl)-7-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]furo[2,3-f]quinazolin-9-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one
CID 171582457
4-[4-[3-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]naphthalen-2-ol
CID 162766176
8-fluoro-1-[8-fluoro-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]quinazolin-7-yl]-2H-isoquinolin-3-one
CID 175432417
2-[4-[7-(8-chloronaphthalen-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]pyrido[3,2-d]pyrimidin-4-yl]piperazin-2-yl]acetonitrile;hydrochloride
CID 174236662

Frequently Asked Questions

What is the IUPAC name of 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline?
The IUPAC name of 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline (CID 167225177) is 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline.
What is the SMILES notation for 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline?
The canonical SMILES for 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline is C[C@@H]1Cn2cnc(F)c2CN1c1nc(OC[C@@H]2CCCCN2C)nc2cc(-c3cccc4cccc(F)c34)ccc12.
What is the InChIKey of 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline?
The InChIKey is WGNHEJGURGGTRP-OFNKIYASSA-N. The full InChI is InChI=1S/C32H32F2N6O/c1-20-16-39-19-35-30(34)28(39)17-40(20)31-25-13-12-22(24-10-5-7-21-8-6-11-26(33)29(21)24)15-27(25)36-32(37-31)41-18-23-9-3-4-14-38(23)2/h5-8,10-13,15,19-20,23H,3-4,9,14,16-18H2,1-2H3/t20-,23+/m1/s1.
What are the key properties of 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline?
4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline has a molecular weight of 554.65 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6R)-1-fluoro-6-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2S)-1-methylpiperidin-2-yl]methoxy]quinazoline is sourced from PubChem (CID 167225177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).