5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione)

C51H53N5O11 — CID 123338928

IUPAC5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione)
SMILESC=C1Cc2oc(=O)cc(CC)c2C(OCC2CC2)=N1.CCc1cc(=O)oc2nc(O[C@@H](CC)c3ccccc3)[nH]c(=O)c12.CCc1cc(=O)oc2nc(O[C@@H](CC)c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/2C18H18N2O4.C15H17NO3/c2*1-3-11-10-14(21)24-17-15(11)16(22)19-18(20-17)23-13(4-2)12-8-6-5-7-9-12;1-3-11-7-13(17)19-12-6-9(2)16-15(14(11)12)18-8-10-4-5-10/h2*5-10,13H,3-4H2,1-2H3,(H,19,20,22);7,10H,2-6,8H2,1H3/t2*13-;/m00./s1
InChIKeyDGFBYWKEYZDNRB-DHHADUQMSA-N
MW912.01 g/mol
LogP8.38
Rot. Bonds13

About 5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione)

5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione) (PubChem CID 123338928) has the molecular formula C51H53N5O11 and a molecular weight of 912.01 g/mol. Its IUPAC name is 5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione).

Molecular Properties

Compound Name5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione)
PubChem CID123338928
Molecular FormulaC51H53N5O11
Molecular Weight912.01 g/mol
Exact Mass911.37
IUPAC Name5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione)
SMILESC=C1Cc2oc(=O)cc(CC)c2C(OCC2CC2)=N1.CCc1cc(=O)oc2nc(O[C@@H](CC)c3ccccc3)[nH]c(=O)c12.CCc1cc(=O)oc2nc(O[C@@H](CC)c3ccccc3)[nH]c(=O)c12
InChIInChI=1S/2C18H18N2O4.C15H17NO3/c2*1-3-11-10-14(21)24-17-15(11)16(22)19-18(20-17)23-13(4-2)12-8-6-5-7-9-12;1-3-11-7-13(17)19-12-6-9(2)16-15(14(11)12)18-8-10-4-5-10/h2*5-10,13H,3-4H2,1-2H3,(H,19,20,22);7,10H,2-6,8H2,1H3/t2*13-;/m00./s1
InChIKeyDGFBYWKEYZDNRB-DHHADUQMSA-N
XLogP8.38
TPSA222.18 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500912.01
LogP ≤ 58.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione)?
The IUPAC name of 5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione) (CID 123338928) is 5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione).
What is the SMILES notation for 5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione)?
The canonical SMILES for 5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione) is C=C1Cc2oc(=O)cc(CC)c2C(OCC2CC2)=N1.CCc1cc(=O)oc2nc(O[C@@H](CC)c3ccccc3)[nH]c(=O)c12.CCc1cc(=O)oc2nc(O[C@@H](CC)c3ccccc3)[nH]c(=O)c12.
What is the InChIKey of 5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione)?
The InChIKey is DGFBYWKEYZDNRB-DHHADUQMSA-N. The full InChI is InChI=1S/2C18H18N2O4.C15H17NO3/c2*1-3-11-10-14(21)24-17-15(11)16(22)19-18(20-17)23-13(4-2)12-8-6-5-7-9-12;1-3-11-7-13(17)19-12-6-9(2)16-15(14(11)12)18-8-10-4-5-10/h2*5-10,13H,3-4H2,1-2H3,(H,19,20,22);7,10H,2-6,8H2,1H3/t2*13-;/m00./s1.
What are the key properties of 5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione)?
5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione) has a molecular weight of 912.01 g/mol, XLogP of 8.38, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethoxy)-4-ethyl-7-methylidene-8H-pyrano[3,2-c]pyridin-2-one;bis(5-ethyl-2-[(1S)-1-phenylpropoxy]-3H-pyrano[2,3-d]pyrimidine-4,7-dione) is sourced from PubChem (CID 123338928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).