3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol

C21H35N5O2 — CID 13210625

IUPAC3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol
SMILESCCN(CC)CCCNc1nn(CCCN2CCOCC2)c2ccc(O)cc12
InChIInChI=1S/C21H35N5O2/c1-3-24(4-2)10-5-9-22-21-19-17-18(27)7-8-20(19)26(23-21)12-6-11-25-13-15-28-16-14-25/h7-8,17,27H,3-6,9-16H2,1-2H3,(H,22,23)
InChIKeyVSAIODPYKTWOPS-UHFFFAOYSA-N
MW389.54 g/mol
LogP2.61
Rot. Bonds11

About 3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol

3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol (PubChem CID 13210625) has the molecular formula C21H35N5O2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol.

Molecular Properties

Compound Name3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol
PubChem CID13210625
Molecular FormulaC21H35N5O2
Molecular Weight389.54 g/mol
Exact Mass389.28
IUPAC Name3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol
SMILESCCN(CC)CCCNc1nn(CCCN2CCOCC2)c2ccc(O)cc12
InChIInChI=1S/C21H35N5O2/c1-3-24(4-2)10-5-9-22-21-19-17-18(27)7-8-20(19)26(23-21)12-6-11-25-13-15-28-16-14-25/h7-8,17,27H,3-6,9-16H2,1-2H3,(H,22,23)
InChIKeyVSAIODPYKTWOPS-UHFFFAOYSA-N
XLogP2.61
TPSA65.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(azepan-1-yl)propylamino]-1-(3-pyrrolidin-1-ylpropyl)indazol-5-ol;dihydrochloride
CID 70352699
3-(6-piperidin-1-ylhexylamino)-1-(3-piperidin-1-ylpropyl)indazol-5-ol
CID 13210615
1-[3-(diethylamino)propyl]-3-[3-(diethylamino)propylamino]indazol-7-ol
CID 13210608
6-bromo-1-methyl-N-(3-morpholin-4-ylpropyl)indazol-3-amine
CID 121275835
N',N'-diethyl-N-(6-methyl-2-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
CID 91961243
3-(7,13-diethyl-1,4-dioxa-7,10,13-triazacyclopentadec-10-yl)-N,N-diethylpropan-1-amine
CID 14661126
5-hydroxy-2-methyl-1-(3-morpholin-4-ylpropyl)indole-3-carbaldehyde
CID 4769907
5-hydroxy-15-methyl-10-(3-morpholin-4-ylpropylamino)-1,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 24784529
3-N-[5-chloro-1-(3-morpholin-4-ylpropyl)indazol-3-yl]-3-N-ethylpentane-1,3-diamine
CID 70536167
1-[ethyl(3-morpholin-4-ylpropyl)amino]-2-methylpropan-2-ol
CID 111496505
2-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]quinazolin-5-amine
CID 34044453
2-ethylsulfanyl-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 69241562

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol?
The IUPAC name of 3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol (CID 13210625) is 3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol.
What is the SMILES notation for 3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol?
The canonical SMILES for 3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol is CCN(CC)CCCNc1nn(CCCN2CCOCC2)c2ccc(O)cc12.
What is the InChIKey of 3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol?
The InChIKey is VSAIODPYKTWOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O2/c1-3-24(4-2)10-5-9-22-21-19-17-18(27)7-8-20(19)26(23-21)12-6-11-25-13-15-28-16-14-25/h7-8,17,27H,3-6,9-16H2,1-2H3,(H,22,23).
What are the key properties of 3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol?
3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol has a molecular weight of 389.54 g/mol, XLogP of 2.61, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)propylamino]-1-(3-morpholin-4-ylpropyl)indazol-5-ol is sourced from PubChem (CID 13210625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).