8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide

C27H21F3N8O2 — CID 71222736

IUPAC8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncc(C(=O)NCc3cccnc3)n12
InChIInChI=1S/C27H21F3N8O2/c1-15-36-22(23-24(31)34-14-20(38(15)23)26(40)35-13-16-3-2-9-32-12-16)17-4-6-18(7-5-17)25(39)37-21-11-19(8-10-33-21)27(28,29)30/h2-12,14H,13H2,1H3,(H2,31,34)(H,35,40)(H,33,37,39)
InChIKeyXZPVSKBGPOXNDM-UHFFFAOYSA-N
MW546.51 g/mol
LogP4.28
Rot. Bonds6

About 8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide

8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide (PubChem CID 71222736) has the molecular formula C27H21F3N8O2 and a molecular weight of 546.51 g/mol. Its IUPAC name is 8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide.

Molecular Properties

Compound Name8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
PubChem CID71222736
Molecular FormulaC27H21F3N8O2
Molecular Weight546.51 g/mol
Exact Mass546.17
IUPAC Name8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide
SMILESCc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncc(C(=O)NCc3cccnc3)n12
InChIInChI=1S/C27H21F3N8O2/c1-15-36-22(23-24(31)34-14-20(38(15)23)26(40)35-13-16-3-2-9-32-12-16)17-4-6-18(7-5-17)25(39)37-21-11-19(8-10-33-21)27(28,29)30/h2-12,14H,13H2,1H3,(H2,31,34)(H,35,40)(H,33,37,39)
InChIKeyXZPVSKBGPOXNDM-UHFFFAOYSA-N
XLogP4.28
TPSA140.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.51
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
The IUPAC name of 8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide (CID 71222736) is 8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide.
What is the SMILES notation for 8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
The canonical SMILES for 8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide is Cc1nc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2)c2c(N)ncc(C(=O)NCc3cccnc3)n12.
What is the InChIKey of 8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
The InChIKey is XZPVSKBGPOXNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N8O2/c1-15-36-22(23-24(31)34-14-20(38(15)23)26(40)35-13-16-3-2-9-32-12-16)17-4-6-18(7-5-17)25(39)37-21-11-19(8-10-33-21)27(28,29)30/h2-12,14H,13H2,1H3,(H2,31,34)(H,35,40)(H,33,37,39).
What are the key properties of 8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide?
8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide has a molecular weight of 546.51 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-3-methyl-N-(pyridin-3-ylmethyl)-1-[4-[[4-(trifluoromethyl)-2-pyridinyl]carbamoyl]phenyl]imidazo[1,5-a]pyrazine-5-carboxamide is sourced from PubChem (CID 71222736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).