3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol

C24H25N5O — CID 166552179

IUPAC3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=C(C)CCNC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C24H25N5O/c1-3-15-10-17(30)5-7-18(15)16-4-6-19-21(11-16)28-29-23(19)24-26-13-22(27-24)20-12-25-9-8-14(20)2/h4-7,10-11,13,25,30H,3,8-9,12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyMKFIBNKBFSMEMD-UHFFFAOYSA-N
MW399.50 g/mol
LogP4.65
Rot. Bonds4

About 3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol

3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol (PubChem CID 166552179) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol
PubChem CID166552179
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol
SMILESCCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=C(C)CCNC4)[nH]3)n[nH]c2c1
InChIInChI=1S/C24H25N5O/c1-3-15-10-17(30)5-7-18(15)16-4-6-19-21(11-16)28-29-23(19)24-26-13-22(27-24)20-12-25-9-8-14(20)2/h4-7,10-11,13,25,30H,3,8-9,12H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyMKFIBNKBFSMEMD-UHFFFAOYSA-N
XLogP4.65
TPSA89.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 54.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol?
The IUPAC name of 3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol (CID 166552179) is 3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol is CCc1cc(O)ccc1-c1ccc2c(-c3ncc(C4=C(C)CCNC4)[nH]3)n[nH]c2c1.
What is the InChIKey of 3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol?
The InChIKey is MKFIBNKBFSMEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-3-15-10-17(30)5-7-18(15)16-4-6-19-21(11-16)28-29-23(19)24-26-13-22(27-24)20-12-25-9-8-14(20)2/h4-7,10-11,13,25,30H,3,8-9,12H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol?
3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol has a molecular weight of 399.50 g/mol, XLogP of 4.65, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[3-[5-(4-methyl-1,2,3,6-tetrahydropyridin-5-yl)-1H-imidazol-2-yl]-1H-indazol-6-yl]phenol is sourced from PubChem (CID 166552179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).