1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane

C23H26N4O — CID 70752557

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane
SMILESc1coc(-c2ncc(CN3CCCN(C4Cc5ccccc5C4)CC3)cn2)c1
InChIInChI=1S/C23H26N4O/c1-2-6-20-14-21(13-19(20)5-1)27-9-4-8-26(10-11-27)17-18-15-24-23(25-16-18)22-7-3-12-28-22/h1-3,5-7,12,15-16,21H,4,8-11,13-14,17H2
InChIKeyPJFWPHFOGLCENX-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.41
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane

1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane (PubChem CID 70752557) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane
PubChem CID70752557
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane
SMILESc1coc(-c2ncc(CN3CCCN(C4Cc5ccccc5C4)CC3)cn2)c1
InChIInChI=1S/C23H26N4O/c1-2-6-20-14-21(13-19(20)5-1)27-9-4-8-26(10-11-27)17-18-15-24-23(25-16-18)22-7-3-12-28-22/h1-3,5-7,12,15-16,21H,4,8-11,13-14,17H2
InChIKeyPJFWPHFOGLCENX-UHFFFAOYSA-N
XLogP3.41
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane with MolForge

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Related Compounds

2-(furan-2-yl)-5-[(4-phenylmethoxypiperidin-1-yl)methyl]pyrimidine
CID 56915979
4-[[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]methyl]-2-methyl-1,3-oxazole
CID 70783368
[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-3-yl]-phenylmethanone
CID 56917412
(4R)-4-[(dimethylamino)methyl]-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]azepan-4-ol
CID 95712097
4-[[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methyl]benzoic acid
CID 167751175
5-[(2S)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]pyrrolidin-2-yl]-3-phenyl-1,2,4-oxadiazole
CID 95712932
(3R,4R)-1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-4-(pyrimidin-2-ylamino)piperidin-3-ol
CID 118766424
2-(furan-2-yl)-5-[[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]methyl]pyrimidine
CID 95725231
4-[1-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135882171
N-propyl-5-[[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]methyl]pyrimidin-2-amine
CID 95873122
4-[[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]methyl]benzonitrile
CID 77078967
5-[(2-ethyl-2,5-dihydropyrrol-1-yl)methyl]-2-(furan-2-yl)pyrimidine
CID 131925309

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane (CID 70752557) is 1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane is c1coc(-c2ncc(CN3CCCN(C4Cc5ccccc5C4)CC3)cn2)c1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane?
The InChIKey is PJFWPHFOGLCENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-2-6-20-14-21(13-19(20)5-1)27-9-4-8-26(10-11-27)17-18-15-24-23(25-16-18)22-7-3-12-28-22/h1-3,5-7,12,15-16,21H,4,8-11,13-14,17H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane?
1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane has a molecular weight of 374.49 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4-[[2-(furan-2-yl)pyrimidin-5-yl]methyl]-1,4-diazepane is sourced from PubChem (CID 70752557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).