6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one

C25H18N10O — CID 67607596

IUPAC6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one
SMILESCCn1cc2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ncccn3)cc2n1
InChIInChI=1S/C25H18N10O/c1-2-33-14-15-8-9-16(12-19(15)32-33)29-24-28-13-18-21(31-24)30-22-17-6-3-4-7-20(17)34(35(22)23(18)36)25-26-10-5-11-27-25/h3-14H,2H2,1H3,(H,28,29,31)
InChIKeySCCRGLRMISWJOP-UHFFFAOYSA-N
MW474.49 g/mol
LogP3.48
Rot. Bonds4

About 6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one

6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one (PubChem CID 67607596) has the molecular formula C25H18N10O and a molecular weight of 474.49 g/mol. Its IUPAC name is 6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one.

Molecular Properties

Compound Name6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one
PubChem CID67607596
Molecular FormulaC25H18N10O
Molecular Weight474.49 g/mol
Exact Mass474.17
IUPAC Name6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one
SMILESCCn1cc2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ncccn3)cc2n1
InChIInChI=1S/C25H18N10O/c1-2-33-14-15-8-9-16(12-19(15)32-33)29-24-28-13-18-21(31-24)30-22-17-6-3-4-7-20(17)34(35(22)23(18)36)25-26-10-5-11-27-25/h3-14H,2H2,1H3,(H,28,29,31)
InChIKeySCCRGLRMISWJOP-UHFFFAOYSA-N
XLogP3.48
TPSA120.71 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one?
The IUPAC name of 6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one (CID 67607596) is 6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one.
What is the SMILES notation for 6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one?
The canonical SMILES for 6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one is CCn1cc2ccc(Nc3ncc4c(=O)n5c(nc4n3)c3ccccc3n5-c3ncccn3)cc2n1.
What is the InChIKey of 6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one?
The InChIKey is SCCRGLRMISWJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N10O/c1-2-33-14-15-8-9-16(12-19(15)32-33)29-24-28-13-18-21(31-24)30-22-17-6-3-4-7-20(17)34(35(22)23(18)36)25-26-10-5-11-27-25/h3-14H,2H2,1H3,(H,28,29,31).
What are the key properties of 6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one?
6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one has a molecular weight of 474.49 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylindazol-6-yl)amino]-17-pyrimidin-2-yl-1,5,7,9,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-3,5,7,9,11,13,15-heptaen-2-one is sourced from PubChem (CID 67607596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).