5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole

C22H22N6O2 — CID 67960019

IUPAC5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
SMILESCOc1cccc(-c2ccc3[nH]nc(-c4cncc(OC5CCCNC5)n4)c3c2)n1
InChIInChI=1S/C22H22N6O2/c1-29-20-6-2-5-17(25-20)14-7-8-18-16(10-14)22(28-27-18)19-12-24-13-21(26-19)30-15-4-3-9-23-11-15/h2,5-8,10,12-13,15,23H,3-4,9,11H2,1H3,(H,27,28)
InChIKeyDKQKTEKAIQIKBY-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.22
Rot. Bonds5

About 5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole

5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole (PubChem CID 67960019) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
PubChem CID67960019
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
SMILESCOc1cccc(-c2ccc3[nH]nc(-c4cncc(OC5CCCNC5)n4)c3c2)n1
InChIInChI=1S/C22H22N6O2/c1-29-20-6-2-5-17(25-20)14-7-8-18-16(10-14)22(28-27-18)19-12-24-13-21(26-19)30-15-4-3-9-23-11-15/h2,5-8,10,12-13,15,23H,3-4,9,11H2,1H3,(H,27,28)
InChIKeyDKQKTEKAIQIKBY-UHFFFAOYSA-N
XLogP3.22
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole with MolForge

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Related Compounds

A-443654
CID 10172943
Abt-107
CID 11151363
A-674563
CID 11314340
5-{5-[(2S)-2-amino-3-(3-iodophenyl)propoxy]pyridin-3-yl}-3-methyl-1H-indazole
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CID 6914614
3-Pyridin-4-YL-2,4-dihydro-indeno(1,2-.C.) pyrazole
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CID 44141871
3-[(2S)-2-amino-3-[3-(trifluoromethyl)phenyl]propoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine
CID 11327794
3-[(2S)-2-amino-3-[(5-{1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 16040274
3-[(2S)-2-amino-3-[(5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647380
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-3-chloro-1H-indazole
CID 23647431
5-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}-1H-indazole
CID 10126464

Frequently Asked Questions

What is the IUPAC name of 5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
The IUPAC name of 5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole (CID 67960019) is 5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole.
What is the SMILES notation for 5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
The canonical SMILES for 5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole is COc1cccc(-c2ccc3[nH]nc(-c4cncc(OC5CCCNC5)n4)c3c2)n1.
What is the InChIKey of 5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
The InChIKey is DKQKTEKAIQIKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-29-20-6-2-5-17(25-20)14-7-8-18-16(10-14)22(28-27-18)19-12-24-13-21(26-19)30-15-4-3-9-23-11-15/h2,5-8,10,12-13,15,23H,3-4,9,11H2,1H3,(H,27,28).
What are the key properties of 5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole?
5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole has a molecular weight of 402.46 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole is sourced from PubChem (CID 67960019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).