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

C28H35N7O — CID 138537573

IUPAC1-(2-tert-butylpyrimidin-4-yl)-6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one
SMILESCCn1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)CC4)cc2n1-c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C28H35N7O/c1-7-34-26(36)22-17-30-24(16-23(22)35(34)25-12-13-29-27(32-25)28(2,3)4)31-20-10-8-18-9-11-21(33(5)6)15-19(18)14-20/h8,10,12-14,16-17,21H,7,9,11,15H2,1-6H3,(H,30,31)
InChIKeyIRKHGLVADNOZIA-UHFFFAOYSA-N
MW485.64 g/mol
LogP4.46
Rot. Bonds5

About 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

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 (PubChem CID 138537573) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(2-tert-butylpyrimidin-4-yl)-6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one
PubChem CID138537573
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC Name1-(2-tert-butylpyrimidin-4-yl)-6-[[7-(dimethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]amino]-2-ethylpyrazolo[4,3-c]pyridin-3-one
SMILESCCn1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)CC4)cc2n1-c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C28H35N7O/c1-7-34-26(36)22-17-30-24(16-23(22)35(34)25-12-13-29-27(32-25)28(2,3)4)31-20-10-8-18-9-11-21(33(5)6)15-19(18)14-20/h8,10,12-14,16-17,21H,7,9,11,15H2,1-6H3,(H,30,31)
InChIKeyIRKHGLVADNOZIA-UHFFFAOYSA-N
XLogP4.46
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCn1c(=O)c2cnc(Nc3ccc4c(c3)CC(N(C)C)CC4)cc2n1-c1ccnc(C(C)(C)C)n1.
What is the InChIKey of 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?
The InChIKey is IRKHGLVADNOZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c1-7-34-26(36)22-17-30-24(16-23(22)35(34)25-12-13-29-27(32-25)28(2,3)4)31-20-10-8-18-9-11-21(33(5)6)15-19(18)14-20/h8,10,12-14,16-17,21H,7,9,11,15H2,1-6H3,(H,30,31).
What are the key properties of 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?
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 has a molecular weight of 485.64 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 138537573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).