6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

C26H29ClN2O — CID 56999371

IUPAC6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCC(C)Oc1ccc2c(c1)CC(CN1CC=C(c3c[nH]c4cc(Cl)ccc34)CC1)C2
InChIInChI=1S/C26H29ClN2O/c1-17(2)30-23-5-3-20-11-18(12-21(20)13-23)16-29-9-7-19(8-10-29)25-15-28-26-14-22(27)4-6-24(25)26/h3-7,13-15,17-18,28H,8-12,16H2,1-2H3
InChIKeyORIFODMKVAHTCA-UHFFFAOYSA-N
MW420.98 g/mol
LogP6.11
Rot. Bonds5

About 6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole

6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (PubChem CID 56999371) has the molecular formula C26H29ClN2O and a molecular weight of 420.98 g/mol. Its IUPAC name is 6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
PubChem CID56999371
Molecular FormulaC26H29ClN2O
Molecular Weight420.98 g/mol
Exact Mass420.20
IUPAC Name6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
SMILESCC(C)Oc1ccc2c(c1)CC(CN1CC=C(c3c[nH]c4cc(Cl)ccc34)CC1)C2
InChIInChI=1S/C26H29ClN2O/c1-17(2)30-23-5-3-20-11-18(12-21(20)13-23)16-29-9-7-19(8-10-29)25-15-28-26-14-22(27)4-6-24(25)26/h3-7,13-15,17-18,28H,8-12,16H2,1-2H3
InChIKeyORIFODMKVAHTCA-UHFFFAOYSA-N
XLogP6.11
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.98
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 113087076
5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride
CID 67759105
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
5-chloro-2-[1-(2,3-dihydro-1H-inden-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 18545982
6-chloro-3-[1-[2-(1H-indol-4-yloxy)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 21268183
1-[3-[4-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-2,3-dihydroindol-1-yl]ethanone
CID 18545791
6-chloro-3-[1-[(4-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]piperidin-4-yl]-1H-indole;oxalic acid
CID 18545828
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-methylphenyl)methanone
CID 113087088
1-[5-bromo-3-[2-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydroindol-1-yl]ethanone
CID 18545867
2-(5-amino-2-methylphenyl)-1-[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 22714419
ethyl 3-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole-6-carboxylate
CID 66863463
[4-(6-chloro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113087091

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The IUPAC name of 6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole (CID 56999371) is 6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The canonical SMILES for 6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is CC(C)Oc1ccc2c(c1)CC(CN1CC=C(c3c[nH]c4cc(Cl)ccc34)CC1)C2.
What is the InChIKey of 6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
The InChIKey is ORIFODMKVAHTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O/c1-17(2)30-23-5-3-20-11-18(12-21(20)13-23)16-29-9-7-19(8-10-29)25-15-28-26-14-22(27)4-6-24(25)26/h3-7,13-15,17-18,28H,8-12,16H2,1-2H3.
What are the key properties of 6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole?
6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole has a molecular weight of 420.98 g/mol, XLogP of 6.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole is sourced from PubChem (CID 56999371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).