6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one

C31H30N8O3 — CID 139516250

IUPAC6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCC(C)c1ncc2c(=O)c(CC(C)c3cc(CC(C)c4cnc5c(=O)cc[nH]c5n4)c4cc[nH]c(=O)c4n3)c[nH]c2n1
InChIInChI=1S/C31H30N8O3/c1-15(2)28-36-13-21-27(41)19(12-35-29(21)39-28)10-16(3)22-11-18(20-5-7-33-31(42)25(20)37-22)9-17(4)23-14-34-26-24(40)6-8-32-30(26)38-23/h5-8,11-17H,9-10H2,1-4H3,(H,33,42)(H,32,38,40)(H,35,36,39,41)
InChIKeyCZXWXFUFYVOIAR-UHFFFAOYSA-N
MW562.63 g/mol
LogP4.00
Rot. Bonds7

About 6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one

6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 139516250) has the molecular formula C31H30N8O3 and a molecular weight of 562.63 g/mol. Its IUPAC name is 6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID139516250
Molecular FormulaC31H30N8O3
Molecular Weight562.63 g/mol
Exact Mass562.24
IUPAC Name6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESCC(C)c1ncc2c(=O)c(CC(C)c3cc(CC(C)c4cnc5c(=O)cc[nH]c5n4)c4cc[nH]c(=O)c4n3)c[nH]c2n1
InChIInChI=1S/C31H30N8O3/c1-15(2)28-36-13-21-27(41)19(12-35-29(21)39-28)10-16(3)22-11-18(20-5-7-33-31(42)25(20)37-22)9-17(4)23-14-34-26-24(40)6-8-32-30(26)38-23/h5-8,11-17H,9-10H2,1-4H3,(H,33,42)(H,32,38,40)(H,35,36,39,41)
InChIKeyCZXWXFUFYVOIAR-UHFFFAOYSA-N
XLogP4.00
TPSA163.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.63
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one (CID 139516250) is 6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one is CC(C)c1ncc2c(=O)c(CC(C)c3cc(CC(C)c4cnc5c(=O)cc[nH]c5n4)c4cc[nH]c(=O)c4n3)c[nH]c2n1.
What is the InChIKey of 6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is CZXWXFUFYVOIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N8O3/c1-15(2)28-36-13-21-27(41)19(12-35-29(21)39-28)10-16(3)22-11-18(20-5-7-33-31(42)25(20)37-22)9-17(4)23-14-34-26-24(40)6-8-32-30(26)38-23/h5-8,11-17H,9-10H2,1-4H3,(H,33,42)(H,32,38,40)(H,35,36,39,41).
What are the key properties of 6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one?
6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 562.63 g/mol, XLogP of 4.00, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[8-oxo-4-[2-(8-oxo-5H-pyrido[2,3-b]pyrazin-3-yl)propyl]-7H-1,7-naphthyridin-2-yl]propyl]-2-propan-2-yl-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 139516250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).