1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one

C29H31NO2 — CID 157254056

IUPAC1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one
SMILESCC(=O)CC1COc2cc(C[C@@H]3CCc4c(-c5ccccc5C(C)C)cccc43)cnc21
InChIInChI=1S/C29H31NO2/c1-18(2)23-7-4-5-8-25(23)26-10-6-9-24-21(11-12-27(24)26)14-20-15-28-29(30-16-20)22(17-32-28)13-19(3)31/h4-10,15-16,18,21-22H,11-14,17H2,1-3H3/t21-,22?/m0/s1
InChIKeyUKIOELJNHXKYCW-HMTLIYDFSA-N
MW425.57 g/mol
LogP6.60
Rot. Bonds6

About 1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one

1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one (PubChem CID 157254056) has the molecular formula C29H31NO2 and a molecular weight of 425.57 g/mol. Its IUPAC name is 1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one
PubChem CID157254056
Molecular FormulaC29H31NO2
Molecular Weight425.57 g/mol
Exact Mass425.24
IUPAC Name1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one
SMILESCC(=O)CC1COc2cc(C[C@@H]3CCc4c(-c5ccccc5C(C)C)cccc43)cnc21
InChIInChI=1S/C29H31NO2/c1-18(2)23-7-4-5-8-25(23)26-10-6-9-24-21(11-12-27(24)26)14-20-15-28-29(30-16-20)22(17-32-28)13-19(3)31/h4-10,15-16,18,21-22H,11-14,17H2,1-3H3/t21-,22?/m0/s1
InChIKeyUKIOELJNHXKYCW-HMTLIYDFSA-N
XLogP6.60
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.57
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one?
The IUPAC name of 1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one (CID 157254056) is 1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one.
What is the SMILES notation for 1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one?
The canonical SMILES for 1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one is CC(=O)CC1COc2cc(C[C@@H]3CCc4c(-c5ccccc5C(C)C)cccc43)cnc21.
What is the InChIKey of 1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one?
The InChIKey is UKIOELJNHXKYCW-HMTLIYDFSA-N. The full InChI is InChI=1S/C29H31NO2/c1-18(2)23-7-4-5-8-25(23)26-10-6-9-24-21(11-12-27(24)26)14-20-15-28-29(30-16-20)22(17-32-28)13-19(3)31/h4-10,15-16,18,21-22H,11-14,17H2,1-3H3/t21-,22?/m0/s1.
What are the key properties of 1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one?
1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one has a molecular weight of 425.57 g/mol, XLogP of 6.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[(1S)-4-(2-propan-2-ylphenyl)-2,3-dihydro-1H-inden-1-yl]methyl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]propan-2-one is sourced from PubChem (CID 157254056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).