3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

C24H22F3N5O — CID 70308108

IUPAC3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1cccc(C2=CC=CC(C3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)C2)c1F
InChIInChI=1S/C24H22F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-11,17H,12-14H2,1H3,(H2,28,31)
InChIKeyHMXAUKDZPJWYCU-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.76
Rot. Bonds4

About 3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (PubChem CID 70308108) has the molecular formula C24H22F3N5O and a molecular weight of 453.47 g/mol. Its IUPAC name is 3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
PubChem CID70308108
Molecular FormulaC24H22F3N5O
Molecular Weight453.47 g/mol
Exact Mass453.18
IUPAC Name3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1cccc(C2=CC=CC(C3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)C2)c1F
InChIInChI=1S/C24H22F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-11,17H,12-14H2,1H3,(H2,28,31)
InChIKeyHMXAUKDZPJWYCU-UHFFFAOYSA-N
XLogP3.76
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine with MolForge

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Related Compounds

8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 24989869
3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-4H-imidazo[1,5-a]pyrimidin-1-ium-6-amine
CID 143594432
(8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 137348074
5-[3-(2-fluoro-3-methoxyphenyl)phenyl]-5-pyridin-4-ylpyrrolo[3,4-b]pyridin-7-amine
CID 25119895
7-fluoro-3-[3-(2-fluoro-3-methoxyphenyl)phenyl]-3-pyridin-4-ylisoindol-1-amine
CID 46206293
acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24873270
3-[6-amino-3,3-difluoro-8-[3-(2-fluoro-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-8-yl]-N,N-dimethylbenzamide
CID 24871630
1-cyclopropyl-2-(2-fluoro-3-methoxyphenyl)imidazole
CID 155909433
4-(2-fluoro-3-methoxyphenyl)pyrimidin-2-amine
CID 82812333
4-(2-fluoro-3-methoxyphenyl)cyclohex-3-en-1-amine
CID 83262312
3-(2-fluoro-3-methoxyphenyl)cyclopent-2-en-1-one
CID 82811166
2-(2-fluoro-3-methoxyphenyl)phenol
CID 53218569

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (CID 70308108) is 3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is COc1cccc(C2=CC=CC(C3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)C2)c1F.
What is the InChIKey of 3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is HMXAUKDZPJWYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-11,17H,12-14H2,1H3,(H2,28,31).
What are the key properties of 3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 453.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-8-[5-(2-fluoro-3-methoxyphenyl)cyclohexa-2,4-dien-1-yl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 70308108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).