2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

C25H26N6 — CID 121288343

IUPAC2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2cn(C[C@@H]3CCCc4cccc(C5CC5)c43)cn2)c1
InChIInChI=1S/C25H26N6/c1-16-25(29-30-28-16)19-10-11-26-22(12-19)23-14-31(15-27-23)13-20-6-2-4-18-5-3-7-21(24(18)20)17-8-9-17/h3,5,7,10-12,14-15,17,20H,2,4,6,8-9,13H2,1H3,(H,28,29,30)/t20-/m0/s1
InChIKeyUUXHHCZRPIRQPX-FQEVSTJZSA-N
MW410.53 g/mol
LogP5.04
Rot. Bonds5

About 2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (PubChem CID 121288343) has the molecular formula C25H26N6 and a molecular weight of 410.53 g/mol. Its IUPAC name is 2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
PubChem CID121288343
Molecular FormulaC25H26N6
Molecular Weight410.53 g/mol
Exact Mass410.22
IUPAC Name2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2cn(C[C@@H]3CCCc4cccc(C5CC5)c43)cn2)c1
InChIInChI=1S/C25H26N6/c1-16-25(29-30-28-16)19-10-11-26-22(12-19)23-14-31(15-27-23)13-20-6-2-4-18-5-3-7-21(24(18)20)17-8-9-17/h3,5,7,10-12,14-15,17,20H,2,4,6,8-9,13H2,1H3,(H,28,29,30)/t20-/m0/s1
InChIKeyUUXHHCZRPIRQPX-FQEVSTJZSA-N
XLogP5.04
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.53
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[[(1S)-8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288329
2-[1-[[(1S)-5-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121288341
2-[1-[(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460642
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3S)-7-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288452
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3S)-4-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288456
2-[1-[[(3S)-7-cyclopropyl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 121290341
2-[1-[[(1S)-7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 118971648
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3R)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288455
4-(5-methyl-2H-triazol-4-yl)-2-[1-[[(3S)-5-propan-2-yl-2,3-dihydro-1-benzofuran-3-yl]methyl]imidazol-4-yl]pyridine
CID 121288454
2-[1-[[(1S)-5-cyclopropyl-2,3-dihydro-1H-inden-1-yl]methyl]imidazol-4-yl]-4-[5-(trifluoromethyl)-2H-triazol-4-yl]pyridine
CID 118971867
2-[1-[(2,6-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
CID 121460613
[5-[2-[1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)imidazol-4-yl]-4-pyridinyl]tetrazol-2-yl]methyl 2,2-dimethylpropanoate
CID 90407889

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (CID 121288343) is 2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is Cc1n[nH]nc1-c1ccnc(-c2cn(C[C@@H]3CCCc4cccc(C5CC5)c43)cn2)c1.
What is the InChIKey of 2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The InChIKey is UUXHHCZRPIRQPX-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H26N6/c1-16-25(29-30-28-16)19-10-11-26-22(12-19)23-14-31(15-27-23)13-20-6-2-4-18-5-3-7-21(24(18)20)17-8-9-17/h3,5,7,10-12,14-15,17,20H,2,4,6,8-9,13H2,1H3,(H,28,29,30)/t20-/m0/s1.
What are the key properties of 2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine has a molecular weight of 410.53 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(1R)-8-cyclopropyl-1,2,3,4-tetrahydronaphthalen-1-yl]methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is sourced from PubChem (CID 121288343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).