6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one

C25H24N6O2 — CID 148977981

IUPAC6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one
SMILESCC(C)n1cnnc1-c1cccc(C2COc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1
InChIInChI=1S/C25H24N6O2/c1-15(2)31-14-27-29-25(31)21-5-3-4-20(28-21)19-12-33-23-9-8-17(10-18(23)24(19)32)30-11-22(26-13-30)16-6-7-16/h3-5,8-11,13-16,19H,6-7,12H2,1-2H3
InChIKeyPVEDETRAQHQDCN-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.34
Rot. Bonds5

About 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one

6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one (PubChem CID 148977981) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one
PubChem CID148977981
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one
SMILESCC(C)n1cnnc1-c1cccc(C2COc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1
InChIInChI=1S/C25H24N6O2/c1-15(2)31-14-27-29-25(31)21-5-3-4-20(28-21)19-12-33-23-9-8-17(10-18(23)24(19)32)30-11-22(26-13-30)16-6-7-16/h3-5,8-11,13-16,19H,6-7,12H2,1-2H3
InChIKeyPVEDETRAQHQDCN-UHFFFAOYSA-N
XLogP4.34
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one?
The IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one (CID 148977981) is 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one is CC(C)n1cnnc1-c1cccc(C2COc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one?
The InChIKey is PVEDETRAQHQDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-15(2)31-14-27-29-25(31)21-5-3-4-20(28-21)19-12-33-23-9-8-17(10-18(23)24(19)32)30-11-22(26-13-30)16-6-7-16/h3-5,8-11,13-16,19H,6-7,12H2,1-2H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one?
6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one has a molecular weight of 440.51 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 148977981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).