3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

C20H28N6O — CID 134335489

IUPAC3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CNCc2cc(N(C)C)nc3c2cnn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C20H28N6O/c1-12(2)26-19-17(11-22-26)15(8-18(24-19)25(5)6)9-21-10-16-13(3)7-14(4)23-20(16)27/h7-8,11-12,21H,9-10H2,1-6H3,(H,23,27)
InChIKeyCLJYVFXOWCUPCZ-UHFFFAOYSA-N
MW368.49 g/mol
LogP2.67
Rot. Bonds6

About 3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one

3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 134335489) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID134335489
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C)c(CNCc2cc(N(C)C)nc3c2cnn3C(C)C)c(=O)[nH]1
InChIInChI=1S/C20H28N6O/c1-12(2)26-19-17(11-22-26)15(8-18(24-19)25(5)6)9-21-10-16-13(3)7-14(4)23-20(16)27/h7-8,11-12,21H,9-10H2,1-6H3,(H,23,27)
InChIKeyCLJYVFXOWCUPCZ-UHFFFAOYSA-N
XLogP2.67
TPSA78.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one (CID 134335489) is 3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is Cc1cc(C)c(CNCc2cc(N(C)C)nc3c2cnn3C(C)C)c(=O)[nH]1.
What is the InChIKey of 3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is CLJYVFXOWCUPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-12(2)26-19-17(11-22-26)15(8-18(24-19)25(5)6)9-21-10-16-13(3)7-14(4)23-20(16)27/h7-8,11-12,21H,9-10H2,1-6H3,(H,23,27).
What are the key properties of 3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one?
3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 368.49 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(dimethylamino)-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]methylamino]methyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 134335489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).