2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole

C22H22N4O — CID 137114633

IUPAC2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
SMILESc1ccc2[nH]c(-c3cc(-c4cncc(OC5CCCCC5)c4)n[nH]3)cc2c1
InChIInChI=1S/C22H22N4O/c1-2-7-17(8-3-1)27-18-10-16(13-23-14-18)20-12-22(26-25-20)21-11-15-6-4-5-9-19(15)24-21/h4-6,9-14,17,24H,1-3,7-8H2,(H,25,26)
InChIKeyBFECNIPQTVAMAQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.33
Rot. Bonds4

About 2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole

2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole (PubChem CID 137114633) has the molecular formula C22H22N4O and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole.

Molecular Properties

Compound Name2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
PubChem CID137114633
Molecular FormulaC22H22N4O
Molecular Weight358.44 g/mol
Exact Mass358.18
IUPAC Name2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
SMILESc1ccc2[nH]c(-c3cc(-c4cncc(OC5CCCCC5)c4)n[nH]3)cc2c1
InChIInChI=1S/C22H22N4O/c1-2-7-17(8-3-1)27-18-10-16(13-23-14-18)20-12-22(26-25-20)21-11-15-6-4-5-9-19(15)24-21/h4-6,9-14,17,24H,1-3,7-8H2,(H,25,26)
InChIKeyBFECNIPQTVAMAQ-UHFFFAOYSA-N
XLogP5.33
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(5-methoxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole
CID 137041381
5-(5-cyclohexyloxy-3-pyridinyl)-3-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
CID 137041330
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-fluorophenyl)-1H-indol-2-yl]-1H-indazole
CID 137310687
5-(5-cyclohexyloxy-3-pyridinyl)-3-(4-piperidin-1-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[4,3-b]pyridine
CID 139424507
2-[3-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazol-5-yl]-4-piperidin-1-yl-1H-indole
CID 137113693
3-(1H-indol-2-yl)-5-[5-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridine
CID 137113629
4-(1,3-benzodioxol-5-yl)-2-[3-(5-piperidin-4-yloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-benzimidazole
CID 137109092
3-(1H-indol-2-yl)-5-(5-phenylmethoxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridine
CID 137103293
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(5-methylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole
CID 137115524
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridine
CID 137283050
5-(5-cyclohexyloxy-3-pyridinyl)-3-[4-(4-methylimidazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridine
CID 137112100
2-[5-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridine
CID 136944238

Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
The IUPAC name of 2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole (CID 137114633) is 2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole.
What is the SMILES notation for 2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
The canonical SMILES for 2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole is c1ccc2[nH]c(-c3cc(-c4cncc(OC5CCCCC5)c4)n[nH]3)cc2c1.
What is the InChIKey of 2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
The InChIKey is BFECNIPQTVAMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-2-7-17(8-3-1)27-18-10-16(13-23-14-18)20-12-22(26-25-20)21-11-15-6-4-5-9-19(15)24-21/h4-6,9-14,17,24H,1-3,7-8H2,(H,25,26).
What are the key properties of 2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole?
2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole has a molecular weight of 358.44 g/mol, XLogP of 5.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-cyclohexyloxy-3-pyridinyl)-1H-pyrazol-5-yl]-1H-indole is sourced from PubChem (CID 137114633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).