N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

C20H23N7O — CID 134192002

IUPACN-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCN1CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C20H23N7O/c1-26-10-7-14(8-11-26)28-20-15-6-5-13(12-17(15)27(2)25-20)22-19-18-16(23-24-19)4-3-9-21-18/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyAUHOJMFHOZABMV-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.06
Rot. Bonds4

About N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine

N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (PubChem CID 134192002) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
PubChem CID134192002
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine
SMILESCN1CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1
InChIInChI=1S/C20H23N7O/c1-26-10-7-14(8-11-26)28-20-15-6-5-13(12-17(15)27(2)25-20)22-19-18-16(23-24-19)4-3-9-21-18/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H2,22,23,24)
InChIKeyAUHOJMFHOZABMV-UHFFFAOYSA-N
XLogP3.06
TPSA83.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The IUPAC name of N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine (CID 134192002) is N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine.
What is the SMILES notation for N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The canonical SMILES for N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is CN1CCC(Oc2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)CC1.
What is the InChIKey of N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
The InChIKey is AUHOJMFHOZABMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-26-10-7-14(8-11-26)28-20-15-6-5-13(12-17(15)27(2)25-20)22-19-18-16(23-24-19)4-3-9-21-18/h3-6,9,12,14H,7-8,10-11H2,1-2H3,(H2,22,23,24).
What are the key properties of N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine?
N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine has a molecular weight of 377.45 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-3-(1-methylpiperidin-4-yl)oxyindazol-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine is sourced from PubChem (CID 134192002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).