(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

C16H20N4O3 — CID 19615869

IUPAC(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)OCCO3)c2cnn(C)c2n1
InChIInChI=1S/C16H20N4O3/c1-11-9-12(13-10-17-19(2)14(13)18-11)15(21)20-5-3-16(4-6-20)22-7-8-23-16/h9-10H,3-8H2,1-2H3
InChIKeyQWPNIOHGUYXEFY-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.26
Rot. Bonds1

About (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone

(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (PubChem CID 19615869) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
PubChem CID19615869
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)OCCO3)c2cnn(C)c2n1
InChIInChI=1S/C16H20N4O3/c1-11-9-12(13-10-17-19(2)14(13)18-11)15(21)20-5-3-16(4-6-20)22-7-8-23-16/h9-10H,3-8H2,1-2H3
InChIKeyQWPNIOHGUYXEFY-UHFFFAOYSA-N
XLogP1.26
TPSA69.48 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 19616512
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124692449
(4-amino-3,3-dimethylpiperidin-1-yl)-(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 120815468
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-methyl-1H-pyrazol-4-yl)methanone
CID 78975186
(4-aminopiperidin-1-yl)-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone;dihydrochloride
CID 75526408
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 110882472
azepan-1-yl-(6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)methanone
CID 44822718
N-[(1-hydroxycyclobutyl)methyl]-1,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 111696594
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(6-methyl-3-pyridinyl)methanone
CID 10445416
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-methylquinolin-2-one
CID 110694493
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049

Frequently Asked Questions

What is the IUPAC name of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone (CID 19615869) is (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is Cc1cc(C(=O)N2CCC3(CC2)OCCO3)c2cnn(C)c2n1.
What is the InChIKey of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
The InChIKey is QWPNIOHGUYXEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-11-9-12(13-10-17-19(2)14(13)18-11)15(21)20-5-3-16(4-6-20)22-7-8-23-16/h9-10H,3-8H2,1-2H3.
What are the key properties of (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone?
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 1.26, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 19615869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).