4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

C22H21N5O — CID 90420863

IUPAC4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-n2cccn2)ccc1-c1ccnc2[nH]c(C3=CCNCC3)cc12
InChIInChI=1S/C22H21N5O/c1-28-21-13-16(27-12-2-8-25-27)3-4-18(21)17-7-11-24-22-19(17)14-20(26-22)15-5-9-23-10-6-15/h2-5,7-8,11-14,23H,6,9-10H2,1H3,(H,24,26)
InChIKeyUJSBLOLDOLHYOX-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.80
Rot. Bonds4

About 4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine

4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 90420863) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID90420863
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1cc(-n2cccn2)ccc1-c1ccnc2[nH]c(C3=CCNCC3)cc12
InChIInChI=1S/C22H21N5O/c1-28-21-13-16(27-12-2-8-25-27)3-4-18(21)17-7-11-24-22-19(17)14-20(26-22)15-5-9-23-10-6-15/h2-5,7-8,11-14,23H,6,9-10H2,1H3,(H,24,26)
InChIKeyUJSBLOLDOLHYOX-UHFFFAOYSA-N
XLogP3.80
TPSA67.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Methoxy-3-Methylphenyl)-1-(Piperidin-4-Ylmethyl)-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 56835771
Meriolin 3
CID 23727981
Pyrazolopyridazine 1
CID 6539361
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Rwj-68354
CID 9819053
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
Methyl substituted pyrazole, 28
CID 23648676
1-(4-(benzyloxy)phenyl)-3-(3-(1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrazol-3-yl)phenyl)urea
CID 44587530
N-(3,4-Dimethoxyphenyl)-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 68291131
US10125144, Example 18
CID 118010994
Sdccggsk-0000007.P001
CID 9604943
3-{1-[2-(1H-Indol-4-yloxy)-ethyl]-1,2,3,6-tetrahydro-pyridin-4-yl}-1H-pyrrolo[2,3-b]pyridine
CID 9820163

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 90420863) is 4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is COc1cc(-n2cccn2)ccc1-c1ccnc2[nH]c(C3=CCNCC3)cc12.
What is the InChIKey of 4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is UJSBLOLDOLHYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-28-21-13-16(27-12-2-8-25-27)3-4-18(21)17-7-11-24-22-19(17)14-20(26-22)15-5-9-23-10-6-15/h2-5,7-8,11-14,23H,6,9-10H2,1H3,(H,24,26).
What are the key properties of 4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 371.44 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-4-pyrazol-1-ylphenyl)-2-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 90420863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).