[(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone

C20H23N5O — CID 125003659

IUPAC[(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@H](Cc3ccc4[nH]ncc4c3)CC2)cn1
InChIInChI=1S/C20H23N5O/c1-14-11-22-19(13-21-14)20(26)25-7-2-3-15(6-8-25)9-16-4-5-18-17(10-16)12-23-24-18/h4-5,10-13,15H,2-3,6-9H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeySTDZMMXOIWGEDQ-HNNXBMFYSA-N
MW349.44 g/mol
LogP3.15
Rot. Bonds3

About [(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone

[(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone (PubChem CID 125003659) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
PubChem CID125003659
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CCC[C@H](Cc3ccc4[nH]ncc4c3)CC2)cn1
InChIInChI=1S/C20H23N5O/c1-14-11-22-19(13-21-14)20(26)25-7-2-3-15(6-8-25)9-16-4-5-18-17(10-16)12-23-24-18/h4-5,10-13,15H,2-3,6-9H2,1H3,(H,23,24)/t15-/m0/s1
InChIKeySTDZMMXOIWGEDQ-HNNXBMFYSA-N
XLogP3.15
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone with MolForge

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Related Compounds

[(4S)-4-(isoquinolin-6-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124988569
1-[(4S)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-2-(oxan-4-yl)ethanone
CID 125016324
2-[(4S)-1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 129489418
2-[1-(5-methylpyrazine-2-carbonyl)azepan-4-yl]acetic acid
CID 120950013
[(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-[3-(2-morpholin-4-ylethoxy)phenyl]methanone
CID 124946567
(5-methylpyrazin-2-yl)-[3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 110106565
(5-methylpyrazin-2-yl)-[(3S)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 124970869
[4-(1H-indazol-5-ylmethyl)azepan-1-yl]-[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]methanone
CID 110150276
[(6R)-6-(1H-indazol-5-ylmethyl)-1,4-oxazepan-4-yl]-(1-methylimidazol-4-yl)methanone
CID 124984174
[4-(isoquinolin-6-ylmethyl)azepan-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 110098883
(4-benzylpiperidin-1-yl)-(1H-indazol-6-yl)methanone
CID 46341627
(5-methylpyrazin-2-yl)-[(3S)-3-(1,3-thiazol-2-ylmethyl)piperidin-1-yl]methanone
CID 95845298

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of [(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone (CID 125003659) is [(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for [(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for [(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CCC[C@H](Cc3ccc4[nH]ncc4c3)CC2)cn1.
What is the InChIKey of [(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
The InChIKey is STDZMMXOIWGEDQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-11-22-19(13-21-14)20(26)25-7-2-3-15(6-8-25)9-16-4-5-18-17(10-16)12-23-24-18/h4-5,10-13,15H,2-3,6-9H2,1H3,(H,23,24)/t15-/m0/s1.
What are the key properties of [(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone?
[(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(1H-indazol-5-ylmethyl)azepan-1-yl]-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 125003659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).