1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one

C26H30N6O — CID 138538049

IUPAC1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
SMILESCCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)cc2n1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/C26H30N6O/c1-5-31-25(33)20-16-28-23(29-19-10-9-18-15-27-12-11-17(18)13-19)14-21(20)32(31)24-8-6-7-22(30-24)26(2,3)4/h6-10,13-14,16,27H,5,11-12,15H2,1-4H3,(H,28,29)
InChIKeySALQOFHMMRALJR-UHFFFAOYSA-N
MW442.57 g/mol
LogP4.29
Rot. Bonds4

About 1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one

1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one (PubChem CID 138538049) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is 1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
PubChem CID138538049
Molecular FormulaC26H30N6O
Molecular Weight442.57 g/mol
Exact Mass442.25
IUPAC Name1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
SMILESCCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)cc2n1-c1cccc(C(C)(C)C)n1
InChIInChI=1S/C26H30N6O/c1-5-31-25(33)20-16-28-23(29-19-10-9-18-15-27-12-11-17(18)13-19)14-21(20)32(31)24-8-6-7-22(30-24)26(2,3)4/h6-10,13-14,16,27H,5,11-12,15H2,1-4H3,(H,28,29)
InChIKeySALQOFHMMRALJR-UHFFFAOYSA-N
XLogP4.29
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.57
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one with MolForge

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Related Compounds

2-ethyl-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
CID 138537987
1-[6-(2-fluoropropan-2-yl)-2-pyridinyl]-2-prop-2-enyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
CID 138538307
2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
CID 138538029
1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one
CID 138537966
1-[6-(1,1-difluoroethyl)-2-pyridinyl]-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536565
1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-2-prop-2-enyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
CID 138538210
2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1-[6-(trifluoromethyl)-2-pyridinyl]pyrazolo[3,4-d]pyrimidin-3-one
CID 138523168
2-ethyl-1-[6-(1-fluoro-2-methylpropan-2-yl)-2-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536214
1-(2-tert-butyl-4-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138522917
1-(6-tert-butyl-2-pyridinyl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-prop-2-enylpyrazolo[4,3-c]pyridin-3-one
CID 138537984
1-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one
CID 138537689
1-(2-tert-butyl-4-pyridinyl)-2-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[4,3-c]pyridin-3-one
CID 138537855

Frequently Asked Questions

What is the IUPAC name of 1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one (CID 138538049) is 1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one is CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)cc2n1-c1cccc(C(C)(C)C)n1.
What is the InChIKey of 1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is SALQOFHMMRALJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-5-31-25(33)20-16-28-23(29-19-10-9-18-15-27-12-11-17(18)13-19)14-21(20)32(31)24-8-6-7-22(30-24)26(2,3)4/h6-10,13-14,16,27H,5,11-12,15H2,1-4H3,(H,28,29).
What are the key properties of 1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one?
1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 442.57 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-tert-butyl-2-pyridinyl)-2-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138538049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).