[(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone

C17H23N5O2 — CID 95847965

IUPAC[(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCN(C)c1cccc(C[C@H]2COCCN(C(=O)c3ccn[nH]3)C2)n1
InChIInChI=1S/C17H23N5O2/c1-21(2)16-5-3-4-14(19-16)10-13-11-22(8-9-24-12-13)17(23)15-6-7-18-20-15/h3-7,13H,8-12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyZMQXBYUJXKSIBN-CYBMUJFWSA-N
MW329.40 g/mol
LogP1.20
Rot. Bonds4

About [(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone

[(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 95847965) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID95847965
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
SMILESCN(C)c1cccc(C[C@H]2COCCN(C(=O)c3ccn[nH]3)C2)n1
InChIInChI=1S/C17H23N5O2/c1-21(2)16-5-3-4-14(19-16)10-13-11-22(8-9-24-12-13)17(23)15-6-7-18-20-15/h3-7,13H,8-12H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyZMQXBYUJXKSIBN-CYBMUJFWSA-N
XLogP1.20
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone with MolForge

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Related Compounds

6-[[4-(1H-pyrazole-5-carbonyl)-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110269710
[6-(imidazo[1,2-a]pyrazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
CID 110111370
[(6R)-6-(imidazo[1,2-b]pyridazin-6-ylmethyl)-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124966101
(6-bromo-1,4-oxazepan-4-yl)-(1H-pyrazol-5-yl)methanone
CID 130940185
[(6R)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-pyridin-4-ylmethanone
CID 124943621
[3-[[3-(dimethylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 110113329
[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81208376
[2-(1-aminoethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81485136
1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrol-5-yl(1H-pyrazol-5-yl)methanone
CID 131643393
N,N-dimethyl-6-[[(6R)-4-pyrimidin-2-yl-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 95841014
[2-(chloromethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81209890
[6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-1,4-oxazepan-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110272129

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone (CID 95847965) is [(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone is CN(C)c1cccc(C[C@H]2COCCN(C(=O)c3ccn[nH]3)C2)n1.
What is the InChIKey of [(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is ZMQXBYUJXKSIBN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21(2)16-5-3-4-14(19-16)10-13-11-22(8-9-24-12-13)17(23)15-6-7-18-20-15/h3-7,13H,8-12H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of [(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone?
[(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 329.40 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,4-oxazepan-4-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 95847965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).