3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine

C21H34ClN5O — CID 70536167

IUPAC3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine
SMILESCCC(CCN)N(CC)c1nn(CCCN2CCOCC2)c2ccc(Cl)cc12
InChIInChI=1S/C21H34ClN5O/c1-3-18(8-9-23)26(4-2)21-19-16-17(22)6-7-20(19)27(24-21)11-5-10-25-12-14-28-15-13-25/h6-7,16,18H,3-5,8-15,23H2,1-2H3
InChIKeyJDCXEPZGVQGPIM-UHFFFAOYSA-N
MW407.99 g/mol
LogP3.37
Rot. Bonds10

About 3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine

3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine (PubChem CID 70536167) has the molecular formula C21H34ClN5O and a molecular weight of 407.99 g/mol. Its IUPAC name is 3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine
PubChem CID70536167
Molecular FormulaC21H34ClN5O
Molecular Weight407.99 g/mol
Exact Mass407.25
IUPAC Name3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine
SMILESCCC(CCN)N(CC)c1nn(CCCN2CCOCC2)c2ccc(Cl)cc12
InChIInChI=1S/C21H34ClN5O/c1-3-18(8-9-23)26(4-2)21-19-16-17(22)6-7-20(19)27(24-21)11-5-10-25-12-14-28-15-13-25/h6-7,16,18H,3-5,8-15,23H2,1-2H3
InChIKeyJDCXEPZGVQGPIM-UHFFFAOYSA-N
XLogP3.37
TPSA59.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine with MolForge

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Related Compounds

4-[3-(6-chloro-2-propan-2-ylbenzimidazol-1-yl)propyl]morpholine
CID 46309516
3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol
CID 13210625
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-2-ol
CID 66742472
1-[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]ethanol
CID 46309522
2-chloro-10-(4-morpholin-4-ylbutyl)acridin-9-one
CID 11846559
[6-chloro-1-(3-morpholin-4-ylpropyl)benzimidazol-2-yl]methanol
CID 46309520
4-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]morpholine
CID 117175502
4-[3-(5-chloro-2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170871001
6-(3-chlorophenyl)-2-(3-morpholin-4-ylpropyl)-4-phenylpyridazin-3-one
CID 3038268
4-[2-(5-chloro-2-methylindol-1-yl)ethyl]morpholine
CID 66764740
1-[1-(3-morpholin-4-ylpropyl)indazol-3-yl]pyrrole-2,5-dione
CID 69217439
6-chloro-N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 110433256

Frequently Asked Questions

What is the IUPAC name of 3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine?
The IUPAC name of 3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine (CID 70536167) is 3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine.
What is the SMILES notation for 3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine?
The canonical SMILES for 3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine is CCC(CCN)N(CC)c1nn(CCCN2CCOCC2)c2ccc(Cl)cc12.
What is the InChIKey of 3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine?
The InChIKey is JDCXEPZGVQGPIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34ClN5O/c1-3-18(8-9-23)26(4-2)21-19-16-17(22)6-7-20(19)27(24-21)11-5-10-25-12-14-28-15-13-25/h6-7,16,18H,3-5,8-15,23H2,1-2H3.
What are the key properties of 3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine?
3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine has a molecular weight of 407.99 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine is sourced from PubChem (CID 70536167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).