5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine

C27H25F3N6 — CID 172788999

IUPAC5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine
SMILESCC(C)c1ccccc1-c1ncc2c(n1)c(Cc1ccc(-c3nc(C(F)(F)F)cn3C)nc1)cn2C
InChIInChI=1S/C27H25F3N6/c1-16(2)19-7-5-6-8-20(19)25-32-13-22-24(34-25)18(14-35(22)3)11-17-9-10-21(31-12-17)26-33-23(15-36(26)4)27(28,29)30/h5-10,12-16H,11H2,1-4H3
InChIKeyPHKXHCJXEYUFKB-UHFFFAOYSA-N
MW490.53 g/mol
LogP6.16
Rot. Bonds5

About 5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine

5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine (PubChem CID 172788999) has the molecular formula C27H25F3N6 and a molecular weight of 490.53 g/mol. Its IUPAC name is 5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine.

Molecular Properties

Compound Name5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine
PubChem CID172788999
Molecular FormulaC27H25F3N6
Molecular Weight490.53 g/mol
Exact Mass490.21
IUPAC Name5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine
SMILESCC(C)c1ccccc1-c1ncc2c(n1)c(Cc1ccc(-c3nc(C(F)(F)F)cn3C)nc1)cn2C
InChIInChI=1S/C27H25F3N6/c1-16(2)19-7-5-6-8-20(19)25-32-13-22-24(34-25)18(14-35(22)3)11-17-9-10-21(31-12-17)26-33-23(15-36(26)4)27(28,29)30/h5-10,12-16H,11H2,1-4H3
InChIKeyPHKXHCJXEYUFKB-UHFFFAOYSA-N
XLogP6.16
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.53
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine?
The IUPAC name of 5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine (CID 172788999) is 5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine.
What is the SMILES notation for 5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine?
The canonical SMILES for 5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine is CC(C)c1ccccc1-c1ncc2c(n1)c(Cc1ccc(-c3nc(C(F)(F)F)cn3C)nc1)cn2C.
What is the InChIKey of 5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine?
The InChIKey is PHKXHCJXEYUFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N6/c1-16(2)19-7-5-6-8-20(19)25-32-13-22-24(34-25)18(14-35(22)3)11-17-9-10-21(31-12-17)26-33-23(15-36(26)4)27(28,29)30/h5-10,12-16H,11H2,1-4H3.
What are the key properties of 5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine?
5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine has a molecular weight of 490.53 g/mol, XLogP of 6.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-[[6-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]-3-pyridinyl]methyl]-2-(2-propan-2-ylphenyl)pyrrolo[3,2-d]pyrimidine is sourced from PubChem (CID 172788999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).