5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide

C16H22N6O2 — CID 95842649

IUPAC5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
SMILESCn1nccc1CN1CCOC[C@@H](Cc2cnc(C(N)=O)cn2)C1
InChIInChI=1S/C16H22N6O2/c1-21-14(2-3-20-21)10-22-4-5-24-11-12(9-22)6-13-7-19-15(8-18-13)16(17)23/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,23)/t12-/m0/s1
InChIKeySDRVJJWSCNQAJA-LBPRGKRZSA-N
MW330.39 g/mol
LogP0.00
Rot. Bonds5

About 5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide

5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide (PubChem CID 95842649) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
PubChem CID95842649
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
SMILESCn1nccc1CN1CCOC[C@@H](Cc2cnc(C(N)=O)cn2)C1
InChIInChI=1S/C16H22N6O2/c1-21-14(2-3-20-21)10-22-4-5-24-11-12(9-22)6-13-7-19-15(8-18-13)16(17)23/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,23)/t12-/m0/s1
InChIKeySDRVJJWSCNQAJA-LBPRGKRZSA-N
XLogP0.00
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

6-(1-benzofuran-6-ylmethyl)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepane
CID 110111798
N,N-dimethyl-5-[[4-[(3-methylimidazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazin-2-amine
CID 110272077
(6R)-4-[(1-methylimidazol-2-yl)methyl]-6-[(5-methylpyrazin-2-yl)methyl]-1,4-oxazepane
CID 95848013
5-[[4-(1,3-thiazole-4-carbonyl)-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide
CID 110269713
3-[6-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-2-pyridinyl]benzamide
CID 124978150
4-[(1-methylpyrazol-4-yl)methyl]-6-[(2-methylpyrimidin-4-yl)methyl]-1,4-oxazepane
CID 102604299
N-methyl-6-[[4-[(1-methylpyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyridine-2-carboxamide
CID 110269716
6-[4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]pyridin-2-amine
CID 110112311
4-[(1-methylimidazol-2-yl)methyl]-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 110130952
[1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 110225897
3-[(2R)-4-[(2-methylpyrazol-3-yl)methyl]morpholin-2-yl]-1-benzothiophene-2-carboxamide
CID 92618919
(6R)-4-(1H-imidazol-2-ylmethyl)-6-(pyrazin-2-ylmethyl)-1,4-oxazepane
CID 124948146

Frequently Asked Questions

What is the IUPAC name of 5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide (CID 95842649) is 5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide is Cn1nccc1CN1CCOC[C@@H](Cc2cnc(C(N)=O)cn2)C1.
What is the InChIKey of 5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is SDRVJJWSCNQAJA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-21-14(2-3-20-21)10-22-4-5-24-11-12(9-22)6-13-7-19-15(8-18-13)16(17)23/h2-3,7-8,12H,4-6,9-11H2,1H3,(H2,17,23)/t12-/m0/s1.
What are the key properties of 5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide?
5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(6S)-4-[(2-methylpyrazol-3-yl)methyl]-1,4-oxazepan-6-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 95842649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).