2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride

C18H23Cl3N4 — CID 23134645

IUPAC2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
SMILESCC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2C2CC2)nc1.Cl.Cl.Cl
InChIInChI=1S/C18H20N4.3ClH/c1-18(2,19)12-5-7-15(20-9-12)13-6-8-16-14(10-21-22-16)17(13)11-3-4-11;;;/h5-11H,3-4,19H2,1-2H3,(H,21,22);3*1H
InChIKeyCJVGEGOIPJGSTA-UHFFFAOYSA-N
MW401.77 g/mol
LogP4.96
Rot. Bonds3

About 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride

2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride (PubChem CID 23134645) has the molecular formula C18H23Cl3N4 and a molecular weight of 401.77 g/mol. Its IUPAC name is 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride.

Molecular Properties

Compound Name2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
PubChem CID23134645
Molecular FormulaC18H23Cl3N4
Molecular Weight401.77 g/mol
Exact Mass400.10
IUPAC Name2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
SMILESCC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2C2CC2)nc1.Cl.Cl.Cl
InChIInChI=1S/C18H20N4.3ClH/c1-18(2,19)12-5-7-15(20-9-12)13-6-8-16-14(10-21-22-16)17(13)11-3-4-11;;;/h5-11H,3-4,19H2,1-2H3,(H,21,22);3*1H
InChIKeyCJVGEGOIPJGSTA-UHFFFAOYSA-N
XLogP4.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.77
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine
CID 54669968
2-[6-[4-(cyclopropylmethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine
CID 11163064
2-[6-[4-(difluoromethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134569
3-[6-(4-ethoxy-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine;trihydrochloride
CID 23134608
5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-amine;trihydrochloride
CID 23134481
4-cyclopropyl-5-methylsulfanyl-1H-indazole
CID 167157837
2-[4-(4-ethoxy-1H-indazol-5-yl)phenyl]propan-2-amine
CID 11243390
propylamino 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propane-1-sulfonate
CID 174673926
1-O-[1-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]ethyl] 4-O-(propylamino) (E)-but-2-enedioate
CID 174685770
N-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]acetamide
CID 23134486
2-[5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazol-4-yl]ethanol
CID 11173952
4-[5-(2-aminopropan-2-yl)-2-pyridinyl]-3-(3-cyclopropyl-1-methylpyrazol-5-yl)oxybenzonitrile
CID 167428881

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride?
The IUPAC name of 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride (CID 23134645) is 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride.
What is the SMILES notation for 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride?
The canonical SMILES for 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride is CC(C)(N)c1ccc(-c2ccc3[nH]ncc3c2C2CC2)nc1.Cl.Cl.Cl.
What is the InChIKey of 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride?
The InChIKey is CJVGEGOIPJGSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4.3ClH/c1-18(2,19)12-5-7-15(20-9-12)13-6-8-16-14(10-21-22-16)17(13)11-3-4-11;;;/h5-11H,3-4,19H2,1-2H3,(H,21,22);3*1H.
What are the key properties of 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride?
2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride has a molecular weight of 401.77 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride is sourced from PubChem (CID 23134645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).