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

C24H26FN7O — CID 138537987

IUPAC2-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
SMILESCCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)cc2n1-c1ccnc(C(C)(C)F)n1
InChIInChI=1S/C24H26FN7O/c1-4-31-22(33)18-14-28-20(29-17-6-5-16-13-26-9-7-15(16)11-17)12-19(18)32(31)21-8-10-27-23(30-21)24(2,3)25/h5-6,8,10-12,14,26H,4,7,9,13H2,1-3H3,(H,28,29)
InChIKeySFICRUCRAKKYTD-UHFFFAOYSA-N
MW447.52 g/mol
LogP3.59
Rot. Bonds5

About 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

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 (PubChem CID 138537987) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID138537987
Molecular FormulaC24H26FN7O
Molecular Weight447.52 g/mol
Exact Mass447.22
IUPAC Name2-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
SMILESCCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)cc2n1-c1ccnc(C(C)(C)F)n1
InChIInChI=1S/C24H26FN7O/c1-4-31-22(33)18-14-28-20(29-17-6-5-16-13-26-9-7-15(16)11-17)12-19(18)32(31)21-8-10-27-23(30-21)24(2,3)25/h5-6,8,10-12,14,26H,4,7,9,13H2,1-3H3,(H,28,29)
InChIKeySFICRUCRAKKYTD-UHFFFAOYSA-N
XLogP3.59
TPSA89.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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-(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-[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
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-butylpyrimidin-4-yl)-6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one
CID 138537573
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
2-cyclopropyl-6-[[6-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-1-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]pyrazolo[4,3-c]pyridin-3-one
CID 138537985
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)cc2n1-c1ccnc(C(C)(C)F)n1.
What is the InChIKey of 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?
The InChIKey is SFICRUCRAKKYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-4-31-22(33)18-14-28-20(29-17-6-5-16-13-26-9-7-15(16)11-17)12-19(18)32(31)21-8-10-27-23(30-21)24(2,3)25/h5-6,8,10-12,14,26H,4,7,9,13H2,1-3H3,(H,28,29).
What are the key properties of 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?
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 has a molecular weight of 447.52 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138537987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).