4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one

C34H33FN6O2 — CID 163433280

IUPAC4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one
SMILESC=Cc1nc(C2CC2)c2n1CCN(c1nc(=O)n(-c3c(C)ccnc3C(C)C)c3cc(-c4c(O)cccc4F)ccc13)C2
InChIInChI=1S/C34H33FN6O2/c1-5-28-37-31(21-9-10-21)26-18-39(15-16-40(26)28)33-23-12-11-22(29-24(35)7-6-8-27(29)42)17-25(23)41(34(43)38-33)32-20(4)13-14-36-30(32)19(2)3/h5-8,11-14,17,19,21,42H,1,9-10,15-16,18H2,2-4H3
InChIKeyASICBJJGINUGOO-UHFFFAOYSA-N
MW576.68 g/mol
LogP6.46
Rot. Bonds6

About 4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one

4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one (PubChem CID 163433280) has the molecular formula C34H33FN6O2 and a molecular weight of 576.68 g/mol. Its IUPAC name is 4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one.

Molecular Properties

Compound Name4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one
PubChem CID163433280
Molecular FormulaC34H33FN6O2
Molecular Weight576.68 g/mol
Exact Mass576.26
IUPAC Name4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one
SMILESC=Cc1nc(C2CC2)c2n1CCN(c1nc(=O)n(-c3c(C)ccnc3C(C)C)c3cc(-c4c(O)cccc4F)ccc13)C2
InChIInChI=1S/C34H33FN6O2/c1-5-28-37-31(21-9-10-21)26-18-39(15-16-40(26)28)33-23-12-11-22(29-24(35)7-6-8-27(29)42)17-25(23)41(34(43)38-33)32-20(4)13-14-36-30(32)19(2)3/h5-8,11-14,17,19,21,42H,1,9-10,15-16,18H2,2-4H3
InChIKeyASICBJJGINUGOO-UHFFFAOYSA-N
XLogP6.46
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.68
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

4-[2-Cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
CID 137301405
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]quinazolin-2-one
CID 156107129
4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 163795638
1-(cyclopropylmethyl)-4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)pyrido[2,3-d]pyrimidin-2-one
CID 163839350
4-(3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-propan-2-ylpyrido[2,3-d]pyrimidin-2-one
CID 164054598
1-[4-[2-[(4-Fluorophenyl)methyl]imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]-3-(4-hydroxyphenyl)-2-phenylpropan-1-one
CID 45252427
US10513523, Example 130
CID 137053615
US10513523, Example 3
CID 137053616
US10513523, Example 6
CID 137053624
US10513523, Example 29
CID 137053626
US10513523, Example 1
CID 137053643
US10513523, Example 9
CID 137053646

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one?
The IUPAC name of 4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one (CID 163433280) is 4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one.
What is the SMILES notation for 4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one?
The canonical SMILES for 4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one is C=Cc1nc(C2CC2)c2n1CCN(c1nc(=O)n(-c3c(C)ccnc3C(C)C)c3cc(-c4c(O)cccc4F)ccc13)C2.
What is the InChIKey of 4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one?
The InChIKey is ASICBJJGINUGOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN6O2/c1-5-28-37-31(21-9-10-21)26-18-39(15-16-40(26)28)33-23-12-11-22(29-24(35)7-6-8-27(29)42)17-25(23)41(34(43)38-33)32-20(4)13-14-36-30(32)19(2)3/h5-8,11-14,17,19,21,42H,1,9-10,15-16,18H2,2-4H3.
What are the key properties of 4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one?
4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one has a molecular weight of 576.68 g/mol, XLogP of 6.46, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyl-3-ethenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)quinazolin-2-one is sourced from PubChem (CID 163433280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).