1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one

C30H38N6O — CID 138538266

IUPAC1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one
SMILESCC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCC(N(C)C)C4)cc2n1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C30H38N6O/c1-19(2)35-29(37)25-18-32-28(17-26(25)36(35)24-12-13-31-27(16-24)30(3,4)5)33-22-10-8-21-15-23(34(6)7)11-9-20(21)14-22/h8,10,12-14,16-19,23H,9,11,15H2,1-7H3,(H,32,33)
InChIKeyJNUHXXYXQILDGE-UHFFFAOYSA-N
MW498.68 g/mol
LogP5.62
Rot. Bonds5

About 1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one

1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one (PubChem CID 138538266) has the molecular formula C30H38N6O and a molecular weight of 498.68 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one
PubChem CID138538266
Molecular FormulaC30H38N6O
Molecular Weight498.68 g/mol
Exact Mass498.31
IUPAC Name1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one
SMILESCC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCC(N(C)C)C4)cc2n1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C30H38N6O/c1-19(2)35-29(37)25-18-32-28(17-26(25)36(35)24-12-13-31-27(16-24)30(3,4)5)33-22-10-8-21-15-23(34(6)7)11-9-20(21)14-22/h8,10,12-14,16-19,23H,9,11,15H2,1-7H3,(H,32,33)
InChIKeyJNUHXXYXQILDGE-UHFFFAOYSA-N
XLogP5.62
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.68
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one (CID 138538266) is 1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one is CC(C)n1c(=O)c2cnc(Nc3ccc4c(c3)CCC(N(C)C)C4)cc2n1-c1ccnc(C(C)(C)C)c1.
What is the InChIKey of 1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?
The InChIKey is JNUHXXYXQILDGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O/c1-19(2)35-29(37)25-18-32-28(17-26(25)36(35)24-12-13-31-27(16-24)30(3,4)5)33-22-10-8-21-15-23(34(6)7)11-9-20(21)14-22/h8,10,12-14,16-19,23H,9,11,15H2,1-7H3,(H,32,33).
What are the key properties of 1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one?
1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one has a molecular weight of 498.68 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-pyridinyl)-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-propan-2-ylpyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138538266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).