N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C23H22N6O2 — CID 134192024

IUPACN-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1ccccc1OCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C23H22N6O2/c1-15-6-3-4-8-20(15)30-12-13-31-23-17-10-9-16(14-19(17)29(2)28-23)25-22-21-18(26-27-22)7-5-11-24-21/h3-11,14H,12-13H2,1-2H3,(H2,25,26,27)
InChIKeyIPGMSHYPGFDPAI-UHFFFAOYSA-N
MW414.47 g/mol
LogP4.35
Rot. Bonds7

About N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192024) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192024
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC NameN-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCc1ccccc1OCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12
InChIInChI=1S/C23H22N6O2/c1-15-6-3-4-8-20(15)30-12-13-31-23-17-10-9-16(14-19(17)29(2)28-23)25-22-21-18(26-27-22)7-5-11-24-21/h3-11,14H,12-13H2,1-2H3,(H2,25,26,27)
InChIKeyIPGMSHYPGFDPAI-UHFFFAOYSA-N
XLogP4.35
TPSA89.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192024) is N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is Cc1ccccc1OCCOc1nn(C)c2cc(Nc3n[nH]c4cccnc34)ccc12.
What is the InChIKey of N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is IPGMSHYPGFDPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-15-6-3-4-8-20(15)30-12-13-31-23-17-10-9-16(14-19(17)29(2)28-23)25-22-21-18(26-27-22)7-5-11-24-21/h3-11,14H,12-13H2,1-2H3,(H2,25,26,27).
What are the key properties of N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 414.47 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-[2-(2-methylphenoxy)ethoxy]indazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).