5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride

C21H27ClN4O — CID 67759105

IUPAC5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride
SMILESCC(C)Oc1ccc2[nH]cc(C3=CCN(CCc4cn[nH]c4)CC3)c2c1.Cl
InChIInChI=1S/C21H26N4O.ClH/c1-15(2)26-18-3-4-21-19(11-18)20(14-22-21)17-6-9-25(10-7-17)8-5-16-12-23-24-13-16;/h3-4,6,11-15,22H,5,7-10H2,1-2H3,(H,23,24);1H
InChIKeyUNPSZPTWWJFRBD-UHFFFAOYSA-N
MW386.93 g/mol
LogP4.43
Rot. Bonds6

About 5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride

5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride (PubChem CID 67759105) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is 5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride.

Molecular Properties

Compound Name5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride
PubChem CID67759105
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC Name5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride
SMILESCC(C)Oc1ccc2[nH]cc(C3=CCN(CCc4cn[nH]c4)CC3)c2c1.Cl
InChIInChI=1S/C21H26N4O.ClH/c1-15(2)26-18-3-4-21-19(11-18)20(14-22-21)17-6-9-25(10-7-17)8-5-16-12-23-24-13-16;/h3-4,6,11-15,22H,5,7-10H2,1-2H3,(H,23,24);1H
InChIKeyUNPSZPTWWJFRBD-UHFFFAOYSA-N
XLogP4.43
TPSA56.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-3-[1-(2-methoxyethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71939904
5-methoxy-3-[1-[2-(4-nitropyrazol-1-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71925265
5-methoxy-3-[1-[(1-propyltetrazol-5-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 71940510
1-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfonylpropan-1-one
CID 51122464
5-methylsulfanyl-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3066252
6-methoxy-3-(1-propyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole
CID 3055742
6-chloro-3-[1-[(5-propan-2-yloxy-2,3-dihydro-1H-inden-2-yl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole
CID 56999371
3-[2-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2-oxidobenzo[f]benzotriazol-2-ium-4,9-dione
CID 25197307
3-[1-(furan-2-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-5-methoxy-1H-indole
CID 141312275
5-[4-[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]butoxy]-2-methyl-1,3-benzothiazole
CID 10137867
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-phenoxy-1H-indole;oxalic acid
CID 44533059
3-[1-(2-phenylethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[3,2-b]pyridin-5-amine
CID 11099200

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride?
The IUPAC name of 5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride (CID 67759105) is 5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride.
What is the SMILES notation for 5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride?
The canonical SMILES for 5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride is CC(C)Oc1ccc2[nH]cc(C3=CCN(CCc4cn[nH]c4)CC3)c2c1.Cl.
What is the InChIKey of 5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride?
The InChIKey is UNPSZPTWWJFRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O.ClH/c1-15(2)26-18-3-4-21-19(11-18)20(14-22-21)17-6-9-25(10-7-17)8-5-16-12-23-24-13-16;/h3-4,6,11-15,22H,5,7-10H2,1-2H3,(H,23,24);1H.
What are the key properties of 5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride?
5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride has a molecular weight of 386.93 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-3-[1-[2-(1H-pyrazol-4-yl)ethyl]-3,6-dihydro-2H-pyridin-4-yl]-1H-indole;hydrochloride is sourced from PubChem (CID 67759105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).