[4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol

C30H30ClN5O — CID 170176649

IUPAC[4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(CO)c3[nH]ccc13)CN(c1ccc(Cl)cn1)CC2
InChIInChI=1S/C30H30ClN5O/c1-3-19-6-5-7-20(4-2)29(19)36-30(24-10-8-21(18-37)28-23(24)12-14-32-28)25-17-35(15-13-26(25)34-36)27-11-9-22(31)16-33-27/h5-12,14,16,32,37H,3-4,13,15,17-18H2,1-2H3
InChIKeyDGLWJPARYJGWRW-UHFFFAOYSA-N
MW512.06 g/mol
LogP6.25
Rot. Bonds6

About [4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol

[4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol (PubChem CID 170176649) has the molecular formula C30H30ClN5O and a molecular weight of 512.06 g/mol. Its IUPAC name is [4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol.

Molecular Properties

Compound Name[4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol
PubChem CID170176649
Molecular FormulaC30H30ClN5O
Molecular Weight512.06 g/mol
Exact Mass511.21
IUPAC Name[4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol
SMILESCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(CO)c3[nH]ccc13)CN(c1ccc(Cl)cn1)CC2
InChIInChI=1S/C30H30ClN5O/c1-3-19-6-5-7-20(4-2)29(19)36-30(24-10-8-21(18-37)28-23(24)12-14-32-28)25-17-35(15-13-26(25)34-36)27-11-9-22(31)16-33-27/h5-12,14,16,32,37H,3-4,13,15,17-18H2,1-2H3
InChIKeyDGLWJPARYJGWRW-UHFFFAOYSA-N
XLogP6.25
TPSA69.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.06
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol with MolForge

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Related Compounds

2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;ethane
CID 142488578
2-[2-[3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]pyrimidin-5-yl]propan-2-ol
CID 137353323
5-(3-chloro-5-cyclopropyl-2-pyridinyl)-3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 142488381
2-(2,6-diethylphenyl)-3-(7-fluoro-6-methyl-1H-indol-4-yl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;methane
CID 142488422
[4-[2-(2,6-diethylphenyl)-5-(5-propan-2-ylpyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-fluoro-1H-indol-7-yl]methanol
CID 150736580
5-(5-cyclopropyl-3-fluoro-2-pyridinyl)-2-(2,6-diethylphenyl)-3-(7-methyl-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 170176212
2-(2,6-diethylphenyl)-3-(7-ethyl-6-fluoro-1H-indol-4-yl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 163908452
tert-butyl 2-(2,6-diethylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 137353300
5-[5-(1,1-difluoroethyl)-3-fluoro-2-pyridinyl]-2-(2-ethyl-6-methylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 142488458
[7-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-benzimidazol-4-yl]methanol
CID 137353276
tert-butyl 3-bromo-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;3-(7-chloro-1H-indol-4-yl)-2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;7-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole;2-fluoro-5-(trifluoromethyl)pyridine;methane;hydrochloride
CID 158738343
[4-[2-(2,6-diethylphenyl)-5-[5-(trifluoromethyl)pyrimidin-2-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-fluoro-1H-indol-7-yl]methyl 2-aminoacetate
CID 139543366

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol?
The IUPAC name of [4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol (CID 170176649) is [4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol.
What is the SMILES notation for [4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol?
The canonical SMILES for [4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol is CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(CO)c3[nH]ccc13)CN(c1ccc(Cl)cn1)CC2.
What is the InChIKey of [4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol?
The InChIKey is DGLWJPARYJGWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN5O/c1-3-19-6-5-7-20(4-2)29(19)36-30(24-10-8-21(18-37)28-23(24)12-14-32-28)25-17-35(15-13-26(25)34-36)27-11-9-22(31)16-33-27/h5-12,14,16,32,37H,3-4,13,15,17-18H2,1-2H3.
What are the key properties of [4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol?
[4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol has a molecular weight of 512.06 g/mol, XLogP of 6.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-chloro-2-pyridinyl)-2-(2,6-diethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-7-yl]methanol is sourced from PubChem (CID 170176649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).