2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C32H37ClN6O2 — CID 66700742

IUPAC2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCN(C)c1ncc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2ccccc2Cl)CC4)C3)cn1
InChIInChI=1S/C32H37ClN6O2/c1-37(2)31-34-18-22(19-35-31)20-38-14-11-32(12-15-38)13-16-39(21-32)30(41)24-8-7-23-9-10-28(26(23)17-24)36-29(40)25-5-3-4-6-27(25)33/h3-8,17-19,28H,9-16,20-21H2,1-2H3,(H,36,40)
InChIKeyKLWMMZQKFKDTFT-UHFFFAOYSA-N
MW573.14 g/mol
LogP4.74
Rot. Bonds6

About 2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66700742) has the molecular formula C32H37ClN6O2 and a molecular weight of 573.14 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID66700742
Molecular FormulaC32H37ClN6O2
Molecular Weight573.14 g/mol
Exact Mass572.27
IUPAC Name2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCN(C)c1ncc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2ccccc2Cl)CC4)C3)cn1
InChIInChI=1S/C32H37ClN6O2/c1-37(2)31-34-18-22(19-35-31)20-38-14-11-32(12-15-38)13-16-39(21-32)30(41)24-8-7-23-9-10-28(26(23)17-24)36-29(40)25-5-3-4-6-27(25)33/h3-8,17-19,28H,9-16,20-21H2,1-2H3,(H,36,40)
InChIKeyKLWMMZQKFKDTFT-UHFFFAOYSA-N
XLogP4.74
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.14
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The IUPAC name of 2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66700742) is 2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The canonical SMILES for 2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is CN(C)c1ncc(CN2CCC3(CC2)CCN(C(=O)c2ccc4c(c2)C(NC(=O)c2ccccc2Cl)CC4)C3)cn1.
What is the InChIKey of 2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is KLWMMZQKFKDTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37ClN6O2/c1-37(2)31-34-18-22(19-35-31)20-38-14-11-32(12-15-38)13-16-39(21-32)30(41)24-8-7-23-9-10-28(26(23)17-24)36-29(40)25-5-3-4-6-27(25)33/h3-8,17-19,28H,9-16,20-21H2,1-2H3,(H,36,40).
What are the key properties of 2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 573.14 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[8-[[2-(dimethylamino)pyrimidin-5-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66700742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).