5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

C31H31ClFN5 — CID 167255523

IUPAC5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(c1ncc(Cl)cc1C)CC2
InChIInChI=1S/C31H31ClFN5/c1-4-7-21-9-6-8-20(5-2)29(21)38-30(24-10-11-26(33)28-23(24)12-14-34-28)25-18-37(15-13-27(25)36-38)31-19(3)16-22(32)17-35-31/h6,8-12,14,16-17,34H,4-5,7,13,15,18H2,1-3H3
InChIKeySEXKESHUBZMUKZ-UHFFFAOYSA-N
MW528.08 g/mol
LogP7.59
Rot. Bonds6

About 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine

5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (PubChem CID 167255523) has the molecular formula C31H31ClFN5 and a molecular weight of 528.08 g/mol. Its IUPAC name is 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
PubChem CID167255523
Molecular FormulaC31H31ClFN5
Molecular Weight528.08 g/mol
Exact Mass527.23
IUPAC Name5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
SMILESCCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(c1ncc(Cl)cc1C)CC2
InChIInChI=1S/C31H31ClFN5/c1-4-7-21-9-6-8-20(5-2)29(21)38-30(24-10-11-26(33)28-23(24)12-14-34-28)25-18-37(15-13-27(25)36-38)31-19(3)16-22(32)17-35-31/h6,8-12,14,16-17,34H,4-5,7,13,15,18H2,1-3H3
InChIKeySEXKESHUBZMUKZ-UHFFFAOYSA-N
XLogP7.59
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.08
LogP ≤ 57.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine (CID 167255523) is 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is CCCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3[nH]ccc13)CN(c1ncc(Cl)cc1C)CC2.
What is the InChIKey of 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
The InChIKey is SEXKESHUBZMUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31ClFN5/c1-4-7-21-9-6-8-20(5-2)29(21)38-30(24-10-11-26(33)28-23(24)12-14-34-28)25-18-37(15-13-27(25)36-38)31-19(3)16-22(32)17-35-31/h6,8-12,14,16-17,34H,4-5,7,13,15,18H2,1-3H3.
What are the key properties of 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine?
5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine has a molecular weight of 528.08 g/mol, XLogP of 7.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-methyl-2-pyridinyl)-2-(2-ethyl-6-propylphenyl)-3-(7-fluoro-1H-indol-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 167255523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).