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

C28H34N6O2 — CID 138537352

IUPAC6-[[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
SMILESCCn1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)CC4)cc2n1-c1ccnc(C(C)(C)O)c1
InChIInChI=1S/C28H34N6O2/c1-6-33-27(35)23-17-30-26(16-24(23)34(33)22-11-12-29-25(15-22)28(2,3)36)31-20-9-7-18-8-10-21(32(4)5)14-19(18)13-20/h7,9,11-13,15-17,21,36H,6,8,10,14H2,1-5H3,(H,30,31)
InChIKeySJPPRIJFZCAJLR-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.99
Rot. Bonds6

About 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

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 (PubChem CID 138537352) has the molecular formula C28H34N6O2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[[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
PubChem CID138537352
Molecular FormulaC28H34N6O2
Molecular Weight486.62 g/mol
Exact Mass486.27
IUPAC Name6-[[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
SMILESCCn1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)CC4)cc2n1-c1ccnc(C(C)(C)O)c1
InChIInChI=1S/C28H34N6O2/c1-6-33-27(35)23-17-30-26(16-24(23)34(33)22-11-12-29-25(15-22)28(2,3)36)31-20-9-7-18-8-10-21(32(4)5)14-19(18)13-20/h7,9,11-13,15-17,21,36H,6,8,10,14H2,1-5H3,(H,30,31)
InChIKeySJPPRIJFZCAJLR-UHFFFAOYSA-N
XLogP3.99
TPSA88.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)CC4)cc2n1-c1ccnc(C(C)(C)O)c1.
What is the InChIKey of 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?
The InChIKey is SJPPRIJFZCAJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O2/c1-6-33-27(35)23-17-30-26(16-24(23)34(33)22-11-12-29-25(15-22)28(2,3)36)31-20-9-7-18-8-10-21(32(4)5)14-19(18)13-20/h7,9,11-13,15-17,21,36H,6,8,10,14H2,1-5H3,(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 486.62 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138537352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).