6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide

C40H39F2N9O5 — CID 170590330

IUPAC6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESCCn1nc(C)c(OCc2ccccc2)c1-c1nnc(-c2nc(C(=O)NCc3ccc(OC)cc3OC)n3cc(C(F)F)ncc23)n1Cc1ccc(OC)cc1
InChIInChI=1S/C40H39F2N9O5/c1-6-51-34(35(24(2)48-51)56-23-26-10-8-7-9-11-26)38-47-46-37(50(38)21-25-12-15-28(53-3)16-13-25)33-31-20-43-30(36(41)42)22-49(31)39(45-33)40(52)44-19-27-14-17-29(54-4)18-32(27)55-5/h7-18,20,22,36H,6,19,21,23H2,1-5H3,(H,44,52)
InChIKeyYWHQWJYDXLPNSI-UHFFFAOYSA-N
MW763.81 g/mol
LogP6.70
Rot. Bonds15

About 6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide

6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 170590330) has the molecular formula C40H39F2N9O5 and a molecular weight of 763.81 g/mol. Its IUPAC name is 6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID170590330
Molecular FormulaC40H39F2N9O5
Molecular Weight763.81 g/mol
Exact Mass763.30
IUPAC Name6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESCCn1nc(C)c(OCc2ccccc2)c1-c1nnc(-c2nc(C(=O)NCc3ccc(OC)cc3OC)n3cc(C(F)F)ncc23)n1Cc1ccc(OC)cc1
InChIInChI=1S/C40H39F2N9O5/c1-6-51-34(35(24(2)48-51)56-23-26-10-8-7-9-11-26)38-47-46-37(50(38)21-25-12-15-28(53-3)16-13-25)33-31-20-43-30(36(41)42)22-49(31)39(45-33)40(52)44-19-27-14-17-29(54-4)18-32(27)55-5/h7-18,20,22,36H,6,19,21,23H2,1-5H3,(H,44,52)
InChIKeyYWHQWJYDXLPNSI-UHFFFAOYSA-N
XLogP6.70
TPSA144.74 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500763.81
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze 6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide with MolForge

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Related Compounds

3-[4-[3-Fluoro-5-[(3-methylimidazol-4-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694537
3-[3-Fluoro-4-[3-fluoro-5-[(3-methylimidazol-4-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694638
3-[2-Fluoro-4-[3-fluoro-5-[(3-methylimidazol-4-yl)methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694639
3-[4-[3-Fluoro-5-[[3-(2-methylpropyl)imidazol-4-yl]methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694640
3-[4-[3-[(3-Benzylimidazol-4-yl)methoxy]-5-fluorophenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694641
3-[4-[3-[(3-Cyclopentylimidazol-4-yl)methoxy]-5-fluorophenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694737
3-[4-[3-Fluoro-5-[(3-methylimidazol-4-yl)methoxy]phenoxy]phenyl]-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 72694739
1-Cyclopentyl-3-[4-[3-fluoro-5-[(3-methylimidazol-4-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72694836
3-[4-[3-[(2,3-Dimethylimidazol-4-yl)methoxy]-5-fluorophenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 72695053
1-Cyclohexyl-3-[4-[3-fluoro-5-[(3-methylimidazol-4-yl)methoxy]phenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72695156
1-Cyclopentyl-3-[4-[3-[(2,3-dimethylimidazol-4-yl)methoxy]-5-fluorophenoxy]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 72695247
3-[4-[3-Fluoro-5-[[3-(2-phenylmethoxyethyl)imidazol-4-yl]methoxy]phenoxy]phenyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 90075617

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide (CID 170590330) is 6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide is CCn1nc(C)c(OCc2ccccc2)c1-c1nnc(-c2nc(C(=O)NCc3ccc(OC)cc3OC)n3cc(C(F)F)ncc23)n1Cc1ccc(OC)cc1.
What is the InChIKey of 6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is YWHQWJYDXLPNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H39F2N9O5/c1-6-51-34(35(24(2)48-51)56-23-26-10-8-7-9-11-26)38-47-46-37(50(38)21-25-12-15-28(53-3)16-13-25)33-31-20-43-30(36(41)42)22-49(31)39(45-33)40(52)44-19-27-14-17-29(54-4)18-32(27)55-5/h7-18,20,22,36H,6,19,21,23H2,1-5H3,(H,44,52).
What are the key properties of 6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide?
6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 763.81 g/mol, XLogP of 6.70, 15 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-N-[(2,4-dimethoxyphenyl)methyl]-1-[5-(1-ethyl-3-methyl-4-phenylmethoxypyrazol-5-yl)-4-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 170590330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).