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

C19H23N5O — CID 166632248

IUPAC5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccncc1
InChIInChI=1S/C19H23N5O/c1-24-9-5-14(6-10-24)21-19-16-12-18(25-2)15(11-17(16)22-23-19)13-3-7-20-8-4-13/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyRMQXOGNDAWCFNU-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.14
Rot. Bonds4

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

5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine (PubChem CID 166632248) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine.

Molecular Properties

Compound Name5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine
PubChem CID166632248
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine
SMILESCOc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccncc1
InChIInChI=1S/C19H23N5O/c1-24-9-5-14(6-10-24)21-19-16-12-18(25-2)15(11-17(16)22-23-19)13-3-7-20-8-4-13/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyRMQXOGNDAWCFNU-UHFFFAOYSA-N
XLogP3.14
TPSA66.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 90400979
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CID 90400782
CID 90400782
CID 25093249
CID 25093249
CID 57390415
CID 57390415
CID 57403377
CID 57403377
CID 166635576
CID 166635576
CID 183282
CID 183282
CID 183287
CID 183287
CID 197233
CID 197233
CID 10238690
CID 10238690
CID 10788182
CID 10788182

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine?
The IUPAC name of 5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine (CID 166632248) is 5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine.
What is the SMILES notation for 5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine?
The canonical SMILES for 5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine is COc1cc2c(NC3CCN(C)CC3)n[nH]c2cc1-c1ccncc1.
What is the InChIKey of 5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine?
The InChIKey is RMQXOGNDAWCFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-24-9-5-14(6-10-24)21-19-16-12-18(25-2)15(11-17(16)22-23-19)13-3-7-20-8-4-13/h3-4,7-8,11-12,14H,5-6,9-10H2,1-2H3,(H2,21,22,23).
What are the key properties of 5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine?
5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine has a molecular weight of 337.43 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-(1-methylpiperidin-4-yl)-6-pyridin-4-yl-1H-indazol-3-amine is sourced from PubChem (CID 166632248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).