[(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone

C23H29N5O2 — CID 124999055

IUPAC[(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone
SMILESCCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C23H29N5O2/c1-2-27(16-18-8-12-24-13-9-18)17-23(30)10-5-14-28(15-11-23)22(29)21-19-6-3-4-7-20(19)25-26-21/h3-4,6-9,12-13,30H,2,5,10-11,14-17H2,1H3,(H,25,26)/t23-/m1/s1
InChIKeyRMGBXCYZLBOUIJ-HSZRJFAPSA-N
MW407.52 g/mol
LogP2.84
Rot. Bonds6

About [(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone

[(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone (PubChem CID 124999055) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is [(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone
PubChem CID124999055
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name[(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone
SMILESCCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C23H29N5O2/c1-2-27(16-18-8-12-24-13-9-18)17-23(30)10-5-14-28(15-11-23)22(29)21-19-6-3-4-7-20(19)25-26-21/h3-4,6-9,12-13,30H,2,5,10-11,14-17H2,1H3,(H,25,26)/t23-/m1/s1
InChIKeyRMGBXCYZLBOUIJ-HSZRJFAPSA-N
XLogP2.84
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone with MolForge

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Related Compounds

(2-amino-4-methyl-1,3-thiazol-5-yl)-[4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]methanone
CID 110123212
N-[1-[[(4S)-4-hydroxy-1-(1H-indazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124943440
[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]-(1H-indazol-3-yl)methanone
CID 131963462
[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
1-[(3R)-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 124949348
[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-3-hydroxypyrrolidin-1-yl]-(1,3-oxazol-5-yl)methanone
CID 110098082
4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]piperidin-4-ol
CID 62222040
2-ethyl-1-(1H-indazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 83059025
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
1H-indazol-3-yl-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 30951232
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(1H-indazol-3-yl)methanone
CID 97216094

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone (CID 124999055) is [(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone is CCN(Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of [(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is RMGBXCYZLBOUIJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-2-27(16-18-8-12-24-13-9-18)17-23(30)10-5-14-28(15-11-23)22(29)21-19-6-3-4-7-20(19)25-26-21/h3-4,6-9,12-13,30H,2,5,10-11,14-17H2,1H3,(H,25,26)/t23-/m1/s1.
What are the key properties of [(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone?
[(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 407.52 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyazepan-1-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 124999055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).