azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

C21H34N4O — CID 26228789

IUPACazepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NC1CCCC1)C2
InChIInChI=1S/C21H34N4O/c1-2-25-19-12-11-17(22-16-9-5-6-10-16)15-18(19)20(23-25)21(26)24-13-7-3-4-8-14-24/h16-17,22H,2-15H2,1H3/t17-/m1/s1
InChIKeySWYIUAPTHSODMH-QGZVFWFLSA-N
MW358.53 g/mol
LogP3.31
Rot. Bonds4

About azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone

azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone (PubChem CID 26228789) has the molecular formula C21H34N4O and a molecular weight of 358.53 g/mol. Its IUPAC name is azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
PubChem CID26228789
Molecular FormulaC21H34N4O
Molecular Weight358.53 g/mol
Exact Mass358.27
IUPAC Nameazepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
SMILESCCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NC1CCCC1)C2
InChIInChI=1S/C21H34N4O/c1-2-25-19-12-11-17(22-16-9-5-6-10-16)15-18(19)20(23-25)21(26)24-13-7-3-4-8-14-24/h16-17,22H,2-15H2,1H3/t17-/m1/s1
InChIKeySWYIUAPTHSODMH-QGZVFWFLSA-N
XLogP3.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone with MolForge

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Related Compounds

[5-(cyclooctylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45165260
[5-(cycloheptylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45164358
azepan-1-yl-[(5S)-5-(cyclohexylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 26227373
azepan-1-yl-[5-(cycloheptylamino)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45162557
[(5R)-1-ethyl-5-(2-piperidin-1-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 29124255
[5-(cyclopropylamino)-1-(2-methylpropyl)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45162178
[1-ethyl-5-(1,3-thiazol-2-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 45163645
azepan-1-yl-[1-ethyl-5-(pyridin-4-ylmethylamino)-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45162740
1-ethyl-5-(oxan-4-ylamino)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 56711868
[1-ethyl-5-(2-phenylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
CID 45164558
azepan-1-yl-[(5S)-1-ethyl-5-[(2-methyl-2-morpholin-4-ylpropyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 51632902
azepan-1-yl-[1-ethyl-5-[methyl(2-methylpropyl)amino]-4,5,6,7-tetrahydroindazol-3-yl]methanone
CID 45164525

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The IUPAC name of azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone (CID 26228789) is azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone is CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H](NC1CCCC1)C2.
What is the InChIKey of azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
The InChIKey is SWYIUAPTHSODMH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H34N4O/c1-2-25-19-12-11-17(22-16-9-5-6-10-16)15-18(19)20(23-25)21(26)24-13-7-3-4-8-14-24/h16-17,22H,2-15H2,1H3/t17-/m1/s1.
What are the key properties of azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone?
azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone has a molecular weight of 358.53 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[(5R)-5-(cyclopentylamino)-1-ethyl-4,5,6,7-tetrahydroindazol-3-yl]methanone is sourced from PubChem (CID 26228789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).