3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine

C34H37F4N5 — CID 140585088

IUPAC3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine
SMILESCn1cc(-c2ccc(F)nc2F)nc1C(CC1(C)CCCC1)(CC1(C)CCCC1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C34H37F4N5/c1-32(15-4-5-16-32)20-34(21-33(2)17-6-7-18-33,26-10-8-9-24(39-26)22-11-13-27(35)41-29(22)37)31-40-25(19-43(31)3)23-12-14-28(36)42-30(23)38/h8-14,19H,4-7,15-18,20-21H2,1-3H3
InChIKeyKINUDYFGFHYDIH-UHFFFAOYSA-N
MW591.70 g/mol
LogP8.72
Rot. Bonds8

About 3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine

3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine (PubChem CID 140585088) has the molecular formula C34H37F4N5 and a molecular weight of 591.70 g/mol. Its IUPAC name is 3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine.

Molecular Properties

Compound Name3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine
PubChem CID140585088
Molecular FormulaC34H37F4N5
Molecular Weight591.70 g/mol
Exact Mass591.30
IUPAC Name3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine
SMILESCn1cc(-c2ccc(F)nc2F)nc1C(CC1(C)CCCC1)(CC1(C)CCCC1)c1cccc(-c2ccc(F)nc2F)n1
InChIInChI=1S/C34H37F4N5/c1-32(15-4-5-16-32)20-34(21-33(2)17-6-7-18-33,26-10-8-9-24(39-26)22-11-13-27(35)41-29(22)37)31-40-25(19-43(31)3)23-12-14-28(36)42-30(23)38/h8-14,19H,4-7,15-18,20-21H2,1-3H3
InChIKeyKINUDYFGFHYDIH-UHFFFAOYSA-N
XLogP8.72
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.70
LogP ≤ 58.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine?
The IUPAC name of 3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine (CID 140585088) is 3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine.
What is the SMILES notation for 3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine?
The canonical SMILES for 3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine is Cn1cc(-c2ccc(F)nc2F)nc1C(CC1(C)CCCC1)(CC1(C)CCCC1)c1cccc(-c2ccc(F)nc2F)n1.
What is the InChIKey of 3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine?
The InChIKey is KINUDYFGFHYDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37F4N5/c1-32(15-4-5-16-32)20-34(21-33(2)17-6-7-18-33,26-10-8-9-24(39-26)22-11-13-27(35)41-29(22)37)31-40-25(19-43(31)3)23-12-14-28(36)42-30(23)38/h8-14,19H,4-7,15-18,20-21H2,1-3H3.
What are the key properties of 3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine?
3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine has a molecular weight of 591.70 g/mol, XLogP of 8.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[4-(2,6-difluoro-3-pyridinyl)-1-methylimidazol-2-yl]-1,3-bis(1-methylcyclopentyl)propan-2-yl]-2-pyridinyl]-2,6-difluoropyridine is sourced from PubChem (CID 140585088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).