(6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

C24H33N5O3 — CID 26146652

IUPAC(6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
SMILESCC(C)n1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccncc3)C2)cn1
InChIInChI=1S/C24H33N5O3/c1-18(2)29-13-20(12-26-29)24(31)27-14-22(32-17-19-8-10-25-11-9-19)15-28(23(30)16-27)21-6-4-3-5-7-21/h8-13,18,21-22H,3-7,14-17H2,1-2H3/t22-/m0/s1
InChIKeyLAMLZSUXOFBDMF-QFIPXVFZSA-N
MW439.56 g/mol
LogP3.06
Rot. Bonds6

About (6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one

(6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one (PubChem CID 26146652) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is (6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one.

Molecular Properties

Compound Name(6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
PubChem CID26146652
Molecular FormulaC24H33N5O3
Molecular Weight439.56 g/mol
Exact Mass439.26
IUPAC Name(6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
SMILESCC(C)n1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccncc3)C2)cn1
InChIInChI=1S/C24H33N5O3/c1-18(2)29-13-20(12-26-29)24(31)27-14-22(32-17-19-8-10-25-11-9-19)15-28(23(30)16-27)21-6-4-3-5-7-21/h8-13,18,21-22H,3-7,14-17H2,1-2H3/t22-/m0/s1
InChIKeyLAMLZSUXOFBDMF-QFIPXVFZSA-N
XLogP3.06
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one with MolForge

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Launch Full Analysis

Related Compounds

(6S)-1-cyclohexyl-6-phenylmethoxy-4-(pyridine-4-carbonyl)-1,4-diazepan-2-one
CID 26146714
(6S)-1-cyclohexyl-4-(3-ethynylbenzoyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 26133474
1-cyclohexyl-4-(2-ethyl-5-methylpyrazole-3-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 45161759
1-cyclohexyl-4-[2-(4-methoxyphenyl)acetyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 45160154
(6S)-1-cyclohexyl-4-(2-methylpropanoyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26220986
(6R)-1-cyclohexyl-4-(2-methylpyridine-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26144031
(6S)-1-cyclohexyl-4-(3-prop-2-enoxybenzoyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one
CID 26132778
1-cyclohexyl-6-phenylmethoxy-4-(2-pyridin-3-ylacetyl)-1,4-diazepan-2-one
CID 45165380
(6S)-1-cyclohexyl-4-[2-(1H-indol-3-yl)acetyl]-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one
CID 26134582
(6R)-1-cyclohexyl-4-(4-methyl-1,2,5-oxadiazole-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26145446
(6R)-1-cyclohexyl-6-phenylmethoxy-4-(1,3-thiazole-4-carbonyl)-1,4-diazepan-2-one
CID 26219889
(6R)-1-cyclohexyl-4-(5-methyl-1H-pyrazole-3-carbonyl)-6-phenylmethoxy-1,4-diazepan-2-one
CID 26147254

Frequently Asked Questions

What is the IUPAC name of (6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one?
The IUPAC name of (6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one (CID 26146652) is (6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one.
What is the SMILES notation for (6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one?
The canonical SMILES for (6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one is CC(C)n1cc(C(=O)N2CC(=O)N(C3CCCCC3)C[C@@H](OCc3ccncc3)C2)cn1.
What is the InChIKey of (6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one?
The InChIKey is LAMLZSUXOFBDMF-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-18(2)29-13-20(12-26-29)24(31)27-14-22(32-17-19-8-10-25-11-9-19)15-28(23(30)16-27)21-6-4-3-5-7-21/h8-13,18,21-22H,3-7,14-17H2,1-2H3/t22-/m0/s1.
What are the key properties of (6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one?
(6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one has a molecular weight of 439.56 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-cyclohexyl-4-(1-propan-2-ylpyrazole-4-carbonyl)-6-(pyridin-4-ylmethoxy)-1,4-diazepan-2-one is sourced from PubChem (CID 26146652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).