6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one

C25H26N4O2 — CID 138750995

IUPAC6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
SMILESC[C@@H](Nc1ncnc2cc(=O)n(C34CCC(CC3)C4)cc12)c1cccc2c1CCC2=O
InChIInChI=1S/C25H26N4O2/c1-15(17-3-2-4-19-18(17)5-6-22(19)30)28-24-20-13-29(23(31)11-21(20)26-14-27-24)25-9-7-16(12-25)8-10-25/h2-4,11,13-16H,5-10,12H2,1H3,(H,26,27,28)/t15-,16?,25?/m1/s1
InChIKeyCGLYBDGNPMRTJZ-CNRBYNHBSA-N
MW414.51 g/mol
LogP4.38
Rot. Bonds4

About 6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one

6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (PubChem CID 138750995) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
PubChem CID138750995
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
SMILESC[C@@H](Nc1ncnc2cc(=O)n(C34CCC(CC3)C4)cc12)c1cccc2c1CCC2=O
InChIInChI=1S/C25H26N4O2/c1-15(17-3-2-4-19-18(17)5-6-22(19)30)28-24-20-13-29(23(31)11-21(20)26-14-27-24)25-9-7-16(12-25)8-10-25/h2-4,11,13-16H,5-10,12H2,1H3,(H,26,27,28)/t15-,16?,25?/m1/s1
InChIKeyCGLYBDGNPMRTJZ-CNRBYNHBSA-N
XLogP4.38
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one with MolForge

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Related Compounds

6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)propyl]amino]pyrido[4,3-d]pyrimidin-7-one
CID 155431824
6-(1-bicyclo[2.2.1]heptanyl)-8-bromo-4-[[(1R)-1-(1,1-difluoro-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
CID 138750785
6-[1-(difluoromethyl)cyclopropyl]-4-[1-[3-(difluoromethyl)-2-fluorophenyl]ethylamino]pyrido[4,3-d]pyrimidin-7-one
CID 155431760
6-[1-(difluoromethyl)cyclopropyl]-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
CID 138751268
4-[[(1R)-1-[3-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]amino]-6-[1-(fluoromethyl)cyclopropyl]pyrido[4,3-d]pyrimidin-7-one
CID 138750782
4-[[(1R)-1-[3-(1,1-difluoroethyl)-2-fluorophenyl]prop-2-ynyl]amino]-6-[1-(difluoromethyl)cyclopropyl]pyrido[4,3-d]pyrimidin-7-one
CID 165386640
6-(1-azabicyclo[2.2.2]octan-4-yl)-4-[[(1R)-1-[3-(difluoromethyl)-2-methylphenyl]ethyl]amino]-2-methylpyrido[4,3-d]pyrimidin-7-one
CID 138750804
4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-6-(3-fluoro-1-bicyclo[1.1.1]pentanyl)-2-methylpyrido[4,3-d]pyrimidin-7-one
CID 138751272
8-cyclopropyl-4-[[(1R)-1-[3-(difluoromethyl)-2-fluorophenyl]ethyl]amino]-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one
CID 138751159
4-[(1,1-difluoro-2,3-dihydroinden-4-yl)methylamino]-6-(1-methylcyclopropyl)pyrido[4,3-d]pyrimidin-7-one
CID 155743718
4-[[(1R)-1-[3-(1,1-difluoro-2-hydroxy-2-methylpropyl)-2-fluorophenyl]ethyl]amino]-6-(3-fluorobut-3-enyl)pyrido[4,3-d]pyrimidin-7-one
CID 155479410
4-[1-[3-(difluoromethyl)-2-fluorophenyl]ethylamino]-6-[1-(methoxymethyl)cyclopropyl]-2-methylpyrido[4,3-d]pyrimidin-7-one
CID 155431479

Frequently Asked Questions

What is the IUPAC name of 6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The IUPAC name of 6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one (CID 138750995) is 6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one is C[C@@H](Nc1ncnc2cc(=O)n(C34CCC(CC3)C4)cc12)c1cccc2c1CCC2=O.
What is the InChIKey of 6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
The InChIKey is CGLYBDGNPMRTJZ-CNRBYNHBSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-15(17-3-2-4-19-18(17)5-6-22(19)30)28-24-20-13-29(23(31)11-21(20)26-14-27-24)25-9-7-16(12-25)8-10-25/h2-4,11,13-16H,5-10,12H2,1H3,(H,26,27,28)/t15-,16?,25?/m1/s1.
What are the key properties of 6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one?
6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one has a molecular weight of 414.51 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bicyclo[2.2.1]heptanyl)-4-[[(1R)-1-(1-oxo-2,3-dihydroinden-4-yl)ethyl]amino]pyrido[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 138750995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).