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

C26H26N6O3 — CID 148691787

IUPAC6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one
SMILESCOCC(C)n1cnnc1-c1cccc(C2COc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1
InChIInChI=1S/C26H26N6O3/c1-16(12-34-2)32-15-28-30-26(32)22-5-3-4-21(29-22)20-13-35-24-9-8-18(10-19(24)25(20)33)31-11-23(27-14-31)17-6-7-17/h3-5,8-11,14-17,20H,6-7,12-13H2,1-2H3
InChIKeyNTPVFRCGEXIDRI-UHFFFAOYSA-N
MW470.53 g/mol
LogP3.97
Rot. Bonds7

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

6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one (PubChem CID 148691787) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1-methoxypropan-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-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one
PubChem CID148691787
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Name6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one
SMILESCOCC(C)n1cnnc1-c1cccc(C2COc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1
InChIInChI=1S/C26H26N6O3/c1-16(12-34-2)32-15-28-30-26(32)22-5-3-4-21(29-22)20-13-35-24-9-8-18(10-19(24)25(20)33)31-11-23(27-14-31)17-6-7-17/h3-5,8-11,14-17,20H,6-7,12-13H2,1-2H3
InChIKeyNTPVFRCGEXIDRI-UHFFFAOYSA-N
XLogP3.97
TPSA96.95 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one with MolForge

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Related Compounds

15-(4-Methylimidazol-1-yl)-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 138458386
15-Morpholin-4-yl-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 138458432
US11168095, Example 42
CID 142411831
US11168095, Example 103
CID 142411822
US11168095, Example 113
CID 142411893
US11168095, Example 66
CID 142412009
US10919911, Example 38
CID 139581341
3-Imidazol-1-yl-2-pyridin-3-yl-2,3-dihydrochromen-4-one
CID 13135475
6-(4-Cyclopropylimidazol-1-yl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]chromen-4-one
CID 141745242
7-(4-Cyclopropylimidazol-1-yl)-4-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 166647954
USRE48711, Example 272
CID 117785944
US11034671, Example 61
CID 138458399

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1-methoxypropan-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-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one (CID 148691787) is 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1-methoxypropan-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-(1-methoxypropan-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-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one is COCC(C)n1cnnc1-c1cccc(C2COc3ccc(-n4cnc(C5CC5)c4)cc3C2=O)n1.
What is the InChIKey of 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one?
The InChIKey is NTPVFRCGEXIDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-16(12-34-2)32-15-28-30-26(32)22-5-3-4-21(29-22)20-13-35-24-9-8-18(10-19(24)25(20)33)31-11-23(27-14-31)17-6-7-17/h3-5,8-11,14-17,20H,6-7,12-13H2,1-2H3.
What are the key properties of 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one?
6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one has a molecular weight of 470.53 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopropylimidazol-1-yl)-3-[6-[4-(1-methoxypropan-2-yl)-1,2,4-triazol-3-yl]-2-pyridinyl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 148691787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).