5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine

C20H25N5O2 — CID 166634007

IUPAC5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
SMILESCOc1cc(-c2cc3[nH]nc(NC4CCN(C)CC4)c3cc2OC)ccn1
InChIInChI=1S/C20H25N5O2/c1-25-8-5-14(6-9-25)22-20-16-12-18(26-2)15(11-17(16)23-24-20)13-4-7-21-19(10-13)27-3/h4,7,10-12,14H,5-6,8-9H2,1-3H3,(H2,22,23,24)
InChIKeyTUAKDCFSTZULRD-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.15
Rot. Bonds5

About 5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine

5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine (PubChem CID 166634007) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound Name5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
PubChem CID166634007
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine
SMILESCOc1cc(-c2cc3[nH]nc(NC4CCN(C)CC4)c3cc2OC)ccn1
InChIInChI=1S/C20H25N5O2/c1-25-8-5-14(6-9-25)22-20-16-12-18(26-2)15(11-17(16)23-24-20)13-4-7-21-19(10-13)27-3/h4,7,10-12,14H,5-6,8-9H2,1-3H3,(H2,22,23,24)
InChIKeyTUAKDCFSTZULRD-UHFFFAOYSA-N
XLogP3.15
TPSA75.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
The IUPAC name of 5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine (CID 166634007) is 5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for 5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
The canonical SMILES for 5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine is COc1cc(-c2cc3[nH]nc(NC4CCN(C)CC4)c3cc2OC)ccn1.
What is the InChIKey of 5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
The InChIKey is TUAKDCFSTZULRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-25-8-5-14(6-9-25)22-20-16-12-18(26-2)15(11-17(16)23-24-20)13-4-7-21-19(10-13)27-3/h4,7,10-12,14H,5-6,8-9H2,1-3H3,(H2,22,23,24).
What are the key properties of 5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine?
5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine has a molecular weight of 367.45 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(2-methoxy-4-pyridinyl)-N-(1-methylpiperidin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 166634007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).