4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine

C31H30N2O — CID 162707805

IUPAC4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
SMILESCC(C)(c1ccncc1)c1ccc(-c2cc(CC3CCCC3)ccn2)c2oc3ccccc3c12
InChIInChI=1S/C31H30N2O/c1-31(2,23-14-16-32-17-15-23)26-12-11-24(30-29(26)25-9-5-6-10-28(25)34-30)27-20-22(13-18-33-27)19-21-7-3-4-8-21/h5-6,9-18,20-21H,3-4,7-8,19H2,1-2H3
InChIKeyLCCAQKYARZGCPR-UHFFFAOYSA-N
MW446.59 g/mol
LogP8.10
Rot. Bonds5

About 4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine

4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine (PubChem CID 162707805) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine.

Molecular Properties

Compound Name4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
PubChem CID162707805
Molecular FormulaC31H30N2O
Molecular Weight446.59 g/mol
Exact Mass446.24
IUPAC Name4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine
SMILESCC(C)(c1ccncc1)c1ccc(-c2cc(CC3CCCC3)ccn2)c2oc3ccccc3c12
InChIInChI=1S/C31H30N2O/c1-31(2,23-14-16-32-17-15-23)26-12-11-24(30-29(26)25-9-5-6-10-28(25)34-30)27-20-22(13-18-33-27)19-21-7-3-4-8-21/h5-6,9-18,20-21H,3-4,7-8,19H2,1-2H3
InChIKeyLCCAQKYARZGCPR-UHFFFAOYSA-N
XLogP8.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 58.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclopentyl(dideuterio)methyl]-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162709860
4-(cyclopentylmethyl)-2-(7-methyl-9-phenyldibenzofuran-4-yl)pyridine
CID 169039009
4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;4-(2-methylpropyl)-2-(1-phenyldibenzofuran-4-yl)pyridine
CID 169038948
4-cyclohexyl-2-(1-phenyldibenzofuran-4-yl)pyridine;4-(cyclopentylmethyl)-2-phenylpyridine;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium
CID 169039273
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-4-phenyl-[1]benzofuro[2,3-b]pyridine
CID 167356385
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2-methyl-5-phenyl-[1]benzofuro[2,3-b]pyridine
CID 155611470
5-methyl-4-(2-methylpropyl)-2-[1-(2-phenylpropan-2-yl)dibenzofuran-4-yl]pyridine
CID 162708849
2-(1-bromodibenzofuran-4-yl)-4-tert-butylpyridine
CID 164796614
8-[4-(cyclopentylmethyl)-2-pyridinyl]-2,5-dimethyl-[1]benzofuro[2,3-b]pyridine
CID 155612523
4-(cyclopentylmethyl)-2-[7-(2,6-difluorophenyl)dibenzofuran-4-yl]pyridine
CID 166574332
4-(cyclohexylmethyl)-2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 166578804
19-[4-(cyclopentylmethyl)-2-pyridinyl]-11-oxa-15-azaheptacyclo[13.10.1.02,14.04,12.05,10.016,21.022,26]hexacosa-1(25),2(14),3,5,7,9,12,16(21),17,19,22(26),23-dodecaene
CID 164803230

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine?
The IUPAC name of 4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine (CID 162707805) is 4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine.
What is the SMILES notation for 4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine?
The canonical SMILES for 4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine is CC(C)(c1ccncc1)c1ccc(-c2cc(CC3CCCC3)ccn2)c2oc3ccccc3c12.
What is the InChIKey of 4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine?
The InChIKey is LCCAQKYARZGCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O/c1-31(2,23-14-16-32-17-15-23)26-12-11-24(30-29(26)25-9-5-6-10-28(25)34-30)27-20-22(13-18-33-27)19-21-7-3-4-8-21/h5-6,9-18,20-21H,3-4,7-8,19H2,1-2H3.
What are the key properties of 4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine?
4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine has a molecular weight of 446.59 g/mol, XLogP of 8.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)-2-[1-(2-pyridin-4-ylpropan-2-yl)dibenzofuran-4-yl]pyridine is sourced from PubChem (CID 162707805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).