1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one

C25H28N6O — CID 138537966

IUPAC1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one
SMILESCCn1c(=O)c2cnc(Nc3ccc4c(c3)CNC4)cc2n1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C25H28N6O/c1-5-30-24(32)20-15-28-23(29-18-7-6-16-13-26-14-17(16)10-18)12-21(20)31(30)19-8-9-27-22(11-19)25(2,3)4/h6-12,15,26H,5,13-14H2,1-4H3,(H,28,29)
InChIKeyPCELKBLAXXFFQD-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.25
Rot. Bonds4

About 1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one

1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one (PubChem CID 138537966) has the molecular formula C25H28N6O and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one
PubChem CID138537966
Molecular FormulaC25H28N6O
Molecular Weight428.54 g/mol
Exact Mass428.23
IUPAC Name1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one
SMILESCCn1c(=O)c2cnc(Nc3ccc4c(c3)CNC4)cc2n1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C25H28N6O/c1-5-30-24(32)20-15-28-23(29-18-7-6-16-13-26-14-17(16)10-18)12-21(20)31(30)19-8-9-27-22(11-19)25(2,3)4/h6-12,15,26H,5,13-14H2,1-4H3,(H,28,29)
InChIKeyPCELKBLAXXFFQD-UHFFFAOYSA-N
XLogP4.25
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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)-2-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrazolo[4,3-c]pyridin-3-one
CID 138537855
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
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-(2-tert-butyl-4-pyridinyl)-2-propan-2-yl-6-(spiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]-7-ylamino)pyrazolo[4,3-c]pyridin-3-one
CID 138537549
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
6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-ethyl-1-[2-(2-hydroxypropan-2-yl)-4-pyridinyl]pyrazolo[4,3-c]pyridin-3-one
CID 138537352
2-ethyl-1-[2-[2-(methylamino)propan-2-yl]-4-pyridinyl]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138536550
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
1-(2-tert-butylpyrimidin-4-yl)-6-[[2-(dimethylamino)-2,3-dihydro-1H-inden-5-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one
CID 138538260
1-(2-tert-butyl-4-pyridinyl)-6-[(8-chloro-1,2,3,4-tetrahydroisoquinolin-6-yl)amino]-2-ethylpyrazolo[3,4-d]pyrimidin-3-one
CID 138536169
6-[(2-acetylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-1-(2-tert-butyl-4-pyridinyl)-2-ethylpyrazolo[3,4-d]pyrimidin-3-one
CID 138536940

Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one (CID 138537966) is 1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one is CCn1c(=O)c2cnc(Nc3ccc4c(c3)CNC4)cc2n1-c1ccnc(C(C)(C)C)c1.
What is the InChIKey of 1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one?
The InChIKey is PCELKBLAXXFFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O/c1-5-30-24(32)20-15-28-23(29-18-7-6-16-13-26-14-17(16)10-18)12-21(20)31(30)19-8-9-27-22(11-19)25(2,3)4/h6-12,15,26H,5,13-14H2,1-4H3,(H,28,29).
What are the key properties of 1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one?
1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one has a molecular weight of 428.54 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butyl-4-pyridinyl)-6-(2,3-dihydro-1H-isoindol-5-ylamino)-2-ethylpyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138537966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).