4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide

C27H25F3N10O2 — CID 76902180

IUPAC4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide
SMILESCC(C)Oc1ccnc(NC(=O)c2ccc(-c3nc(N4CCn5c(nnc5C(F)(F)F)C4)n4ccnc(N)c34)cc2)c1
InChIInChI=1S/C27H25F3N10O2/c1-15(2)42-18-7-8-32-19(13-18)34-24(41)17-5-3-16(4-6-17)21-22-23(31)33-9-10-40(22)26(35-21)38-11-12-39-20(14-38)36-37-25(39)27(28,29)30/h3-10,13,15H,11-12,14H2,1-2H3,(H2,31,33)(H,32,34,41)
InChIKeyPBOGXWOJLHDIPM-UHFFFAOYSA-N
MW578.56 g/mol
LogP4.04
Rot. Bonds6

About 4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide

4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide (PubChem CID 76902180) has the molecular formula C27H25F3N10O2 and a molecular weight of 578.56 g/mol. Its IUPAC name is 4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide.

Molecular Properties

Compound Name4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide
PubChem CID76902180
Molecular FormulaC27H25F3N10O2
Molecular Weight578.56 g/mol
Exact Mass578.21
IUPAC Name4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide
SMILESCC(C)Oc1ccnc(NC(=O)c2ccc(-c3nc(N4CCn5c(nnc5C(F)(F)F)C4)n4ccnc(N)c34)cc2)c1
InChIInChI=1S/C27H25F3N10O2/c1-15(2)42-18-7-8-32-19(13-18)34-24(41)17-5-3-16(4-6-17)21-22-23(31)33-9-10-40(22)26(35-21)38-11-12-39-20(14-38)36-37-25(39)27(28,29)30/h3-10,13,15H,11-12,14H2,1-2H3,(H2,31,33)(H,32,34,41)
InChIKeyPBOGXWOJLHDIPM-UHFFFAOYSA-N
XLogP4.04
TPSA141.38 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500578.56
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide?
The IUPAC name of 4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide (CID 76902180) is 4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide.
What is the SMILES notation for 4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide?
The canonical SMILES for 4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide is CC(C)Oc1ccnc(NC(=O)c2ccc(-c3nc(N4CCn5c(nnc5C(F)(F)F)C4)n4ccnc(N)c34)cc2)c1.
What is the InChIKey of 4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide?
The InChIKey is PBOGXWOJLHDIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N10O2/c1-15(2)42-18-7-8-32-19(13-18)34-24(41)17-5-3-16(4-6-17)21-22-23(31)33-9-10-40(22)26(35-21)38-11-12-39-20(14-38)36-37-25(39)27(28,29)30/h3-10,13,15H,11-12,14H2,1-2H3,(H2,31,33)(H,32,34,41).
What are the key properties of 4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide?
4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide has a molecular weight of 578.56 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(4-propan-2-yloxy-2-pyridinyl)benzamide is sourced from PubChem (CID 76902180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).