7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C25H25FN8 — CID 146490622

IUPAC7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCN1CCCC1Cc1nc2c(-c3ccc4ncn(C)c4c3)c(-c3ccc(F)cc3)nc(N)n2n1
InChIInChI=1S/C25H25FN8/c1-32-11-3-4-18(32)13-21-29-24-22(16-7-10-19-20(12-16)33(2)14-28-19)23(30-25(27)34(24)31-21)15-5-8-17(26)9-6-15/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H2,27,30)
InChIKeyOONYUIKMLKLQPP-UHFFFAOYSA-N
MW456.53 g/mol
LogP3.70
Rot. Bonds4

About 7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 146490622) has the molecular formula C25H25FN8 and a molecular weight of 456.53 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID146490622
Molecular FormulaC25H25FN8
Molecular Weight456.53 g/mol
Exact Mass456.22
IUPAC Name7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESCN1CCCC1Cc1nc2c(-c3ccc4ncn(C)c4c3)c(-c3ccc(F)cc3)nc(N)n2n1
InChIInChI=1S/C25H25FN8/c1-32-11-3-4-18(32)13-21-29-24-22(16-7-10-19-20(12-16)33(2)14-28-19)23(30-25(27)34(24)31-21)15-5-8-17(26)9-6-15/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H2,27,30)
InChIKeyOONYUIKMLKLQPP-UHFFFAOYSA-N
XLogP3.70
TPSA90.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 146490622) is 7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is CN1CCCC1Cc1nc2c(-c3ccc4ncn(C)c4c3)c(-c3ccc(F)cc3)nc(N)n2n1.
What is the InChIKey of 7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is OONYUIKMLKLQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8/c1-32-11-3-4-18(32)13-21-29-24-22(16-7-10-19-20(12-16)33(2)14-28-19)23(30-25(27)34(24)31-21)15-5-8-17(26)9-6-15/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H2,27,30).
What are the key properties of 7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 456.53 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-8-(3-methylbenzimidazol-5-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 146490622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).