2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

C21H24N4O — CID 126809472

IUPAC2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cc(CNC2CCCc3nn(C)cc32)ccc1Oc1cccnc1
InChIInChI=1S/C21H24N4O/c1-15-11-16(8-9-21(15)26-17-5-4-10-22-13-17)12-23-19-6-3-7-20-18(19)14-25(2)24-20/h4-5,8-11,13-14,19,23H,3,6-7,12H2,1-2H3
InChIKeyAAVDKPBMYHXMQZ-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.08
Rot. Bonds5

About 2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine

2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 126809472) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID126809472
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCc1cc(CNC2CCCc3nn(C)cc32)ccc1Oc1cccnc1
InChIInChI=1S/C21H24N4O/c1-15-11-16(8-9-21(15)26-17-5-4-10-22-13-17)12-23-19-6-3-7-20-18(19)14-25(2)24-20/h4-5,8-11,13-14,19,23H,3,6-7,12H2,1-2H3
InChIKeyAAVDKPBMYHXMQZ-UHFFFAOYSA-N
XLogP4.08
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of 2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 126809472) is 2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for 2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for 2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is Cc1cc(CNC2CCCc3nn(C)cc32)ccc1Oc1cccnc1.
What is the InChIKey of 2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is AAVDKPBMYHXMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15-11-16(8-9-21(15)26-17-5-4-10-22-13-17)12-23-19-6-3-7-20-18(19)14-25(2)24-20/h4-5,8-11,13-14,19,23H,3,6-7,12H2,1-2H3.
What are the key properties of 2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine?
2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 348.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3-methyl-4-pyridin-3-yloxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 126809472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).