3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride

C19H27Cl3N4O — CID 23134608

IUPAC3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride
SMILESCCOc1c(-c2ccc(C(N)(CC)CC)cn2)ccc2[nH]ncc12.Cl.Cl.Cl
InChIInChI=1S/C19H24N4O.3ClH/c1-4-19(20,5-2)13-7-9-16(21-11-13)14-8-10-17-15(12-22-23-17)18(14)24-6-3;;;/h7-12H,4-6,20H2,1-3H3,(H,22,23);3*1H
InChIKeyXSZUTXGXCIZPTF-UHFFFAOYSA-N
MW433.81 g/mol
LogP5.26
Rot. Bonds6

About 3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride

3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride (PubChem CID 23134608) has the molecular formula C19H27Cl3N4O and a molecular weight of 433.81 g/mol. Its IUPAC name is 3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride.

Molecular Properties

Compound Name3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride
PubChem CID23134608
Molecular FormulaC19H27Cl3N4O
Molecular Weight433.81 g/mol
Exact Mass432.13
IUPAC Name3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride
SMILESCCOc1c(-c2ccc(C(N)(CC)CC)cn2)ccc2[nH]ncc12.Cl.Cl.Cl
InChIInChI=1S/C19H24N4O.3ClH/c1-4-19(20,5-2)13-7-9-16(21-11-13)14-8-10-17-15(12-22-23-17)18(14)24-6-3;;;/h7-12H,4-6,20H2,1-3H3,(H,22,23);3*1H
InChIKeyXSZUTXGXCIZPTF-UHFFFAOYSA-N
XLogP5.26
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.81
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine
CID 54669968
2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134569
2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine
CID 11243390
2-[6-[4-(cyclopropylmethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine
CID 11163064
2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134645
5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride
CID 23134481
2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol
CID 11173952
N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide
CID 23134486
4-[(4-propoxy-1H-indazol-5-yl)oxy]cyclohexan-1-amine;hydrochloride
CID 18447270
ethyl 1H-pyrazolo[4,5-c]pyridine-4-carboxylate
CID 76847175
[2-ethoxy-3-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]boronic acid
CID 166610816
6-(2-methylbutan-2-yl)-1H-indazole
CID 89048123

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride?
The IUPAC name of 3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride (CID 23134608) is 3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride.
What is the SMILES notation for 3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride?
The canonical SMILES for 3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride is CCOc1c(-c2ccc(C(N)(CC)CC)cn2)ccc2[nH]ncc12.Cl.Cl.Cl.
What is the InChIKey of 3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride?
The InChIKey is XSZUTXGXCIZPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O.3ClH/c1-4-19(20,5-2)13-7-9-16(21-11-13)14-8-10-17-15(12-22-23-17)18(14)24-6-3;;;/h7-12H,4-6,20H2,1-3H3,(H,22,23);3*1H.
What are the key properties of 3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride?
3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride has a molecular weight of 433.81 g/mol, XLogP of 5.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride is sourced from PubChem (CID 23134608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).