(2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone

C21H17N7O2 — CID 134198306

IUPAC(2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
SMILESCOc1cc(C(=O)c2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)ccn1
InChIInChI=1S/C21H17N7O2/c1-28-16-11-13(24-21-19-15(25-26-21)4-3-8-23-19)5-6-14(16)18(27-28)20(29)12-7-9-22-17(10-12)30-2/h3-11H,1-2H3,(H2,24,25,26)
InChIKeyBQQMIECFSWLOMH-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.22
Rot. Bonds5

About (2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone

(2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone (PubChem CID 134198306) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
PubChem CID134198306
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name(2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone
SMILESCOc1cc(C(=O)c2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)ccn1
InChIInChI=1S/C21H17N7O2/c1-28-16-11-13(24-21-19-15(25-26-21)4-3-8-23-19)5-6-14(16)18(27-28)20(29)12-7-9-22-17(10-12)30-2/h3-11H,1-2H3,(H2,24,25,26)
InChIKeyBQQMIECFSWLOMH-UHFFFAOYSA-N
XLogP3.22
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The IUPAC name of (2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone (CID 134198306) is (2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone.
What is the SMILES notation for (2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The canonical SMILES for (2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone is COc1cc(C(=O)c2nn(C)c3cc(Nc4n[nH]c5cccnc45)ccc23)ccn1.
What is the InChIKey of (2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
The InChIKey is BQQMIECFSWLOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O2/c1-28-16-11-13(24-21-19-15(25-26-21)4-3-8-23-19)5-6-14(16)18(27-28)20(29)12-7-9-22-17(10-12)30-2/h3-11H,1-2H3,(H2,24,25,26).
What are the key properties of (2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone?
(2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone has a molecular weight of 399.41 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-4-pyridinyl)-[1-methyl-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)indazol-3-yl]methanone is sourced from PubChem (CID 134198306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).