2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

C32H38ClN5O2 — CID 66701052

IUPAC2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1nn(C)c(C)c1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1ccccc1Cl)CC3)C2
InChIInChI=1S/C32H38ClN5O2/c1-21-27(22(2)36(3)35-21)19-37-15-12-32(13-16-37)14-17-38(20-32)31(40)24-9-8-23-10-11-29(26(23)18-24)34-30(39)25-6-4-5-7-28(25)33/h4-9,18,29H,10-17,19-20H2,1-3H3,(H,34,39)
InChIKeyQMXOWUAUCRLZFA-UHFFFAOYSA-N
MW560.14 g/mol
LogP5.24
Rot. Bonds5

About 2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide

2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (PubChem CID 66701052) has the molecular formula C32H38ClN5O2 and a molecular weight of 560.14 g/mol. Its IUPAC name is 2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-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-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
PubChem CID66701052
Molecular FormulaC32H38ClN5O2
Molecular Weight560.14 g/mol
Exact Mass559.27
IUPAC Name2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide
SMILESCc1nn(C)c(C)c1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1ccccc1Cl)CC3)C2
InChIInChI=1S/C32H38ClN5O2/c1-21-27(22(2)36(3)35-21)19-37-15-12-32(13-16-37)14-17-38(20-32)31(40)24-9-8-23-10-11-29(26(23)18-24)34-30(39)25-6-4-5-7-28(25)33/h4-9,18,29H,10-17,19-20H2,1-3H3,(H,34,39)
InChIKeyQMXOWUAUCRLZFA-UHFFFAOYSA-N
XLogP5.24
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.14
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-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-[(1,3,5-trimethylpyrazol-4-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-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide (CID 66701052) is 2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-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-[(1,3,5-trimethylpyrazol-4-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-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is Cc1nn(C)c(C)c1CN1CCC2(CC1)CCN(C(=O)c1ccc3c(c1)C(NC(=O)c1ccccc1Cl)CC3)C2.
What is the InChIKey of 2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
The InChIKey is QMXOWUAUCRLZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38ClN5O2/c1-21-27(22(2)36(3)35-21)19-37-15-12-32(13-16-37)14-17-38(20-32)31(40)24-9-8-23-10-11-29(26(23)18-24)34-30(39)25-6-4-5-7-28(25)33/h4-9,18,29H,10-17,19-20H2,1-3H3,(H,34,39).
What are the key properties of 2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide?
2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide has a molecular weight of 560.14 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[6-[8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-2-carbonyl]-2,3-dihydro-1H-inden-1-yl]benzamide is sourced from PubChem (CID 66701052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).