4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C22H30N6O4 — CID 58129962

IUPAC4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOCCOc1nc(N)c2c(n1)N(Cc1ccc(OCC3CCCN(C)C3)nc1)C(=O)C2
InChIInChI=1S/C22H30N6O4/c1-27-7-3-4-16(12-27)14-32-18-6-5-15(11-24-18)13-28-19(29)10-17-20(23)25-22(26-21(17)28)31-9-8-30-2/h5-6,11,16H,3-4,7-10,12-14H2,1-2H3,(H2,23,25,26)
InChIKeyRRFKOMSUHWNKGB-UHFFFAOYSA-N
MW442.52 g/mol
LogP1.29
Rot. Bonds9

About 4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58129962) has the molecular formula C22H30N6O4 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID58129962
Molecular FormulaC22H30N6O4
Molecular Weight442.52 g/mol
Exact Mass442.23
IUPAC Name4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOCCOc1nc(N)c2c(n1)N(Cc1ccc(OCC3CCCN(C)C3)nc1)C(=O)C2
InChIInChI=1S/C22H30N6O4/c1-27-7-3-4-16(12-27)14-32-18-6-5-15(11-24-18)13-28-19(29)10-17-20(23)25-22(26-21(17)28)31-9-8-30-2/h5-6,11,16H,3-4,7-10,12-14H2,1-2H3,(H2,23,25,26)
InChIKeyRRFKOMSUHWNKGB-UHFFFAOYSA-N
XLogP1.29
TPSA115.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one with MolForge

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Related Compounds

Dsr-6434
CID 25071151
2-Butylamino-8-hydroxy-9-(6-methoxy-3-pyridylmethyl)adenine
CID 11695850
6-amino-2-(butylamino)-9-[[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071149
6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 25071150
6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 59281148
2-amino-8-isopropyl-4-methoxy-6-(6-methoxypyridin-3-yl)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 52945133
6-amino-2-(butylamino)-9-[[6-[2-(methylamino)ethoxy]-3-pyridinyl]methyl]-7H-purin-8-one
CID 71520574
[4-[(5-Methyl-2-pyridinyl)oxy]piperidin-1-yl]-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 155569329
2-Amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 59258894
2-Amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258923
2-Amino-6-(6-methoxy-3-pyridinyl)-4-methyl-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258948
6-(6-Methoxy-3-pyridinyl)-4-methyl-2-(methylamino)-8-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 59258984

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 58129962) is 4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is COCCOc1nc(N)c2c(n1)N(Cc1ccc(OCC3CCCN(C)C3)nc1)C(=O)C2.
What is the InChIKey of 4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is RRFKOMSUHWNKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O4/c1-27-7-3-4-16(12-27)14-32-18-6-5-15(11-24-18)13-28-19(29)10-17-20(23)25-22(26-21(17)28)31-9-8-30-2/h5-6,11,16H,3-4,7-10,12-14H2,1-2H3,(H2,23,25,26).
What are the key properties of 4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 442.52 g/mol, XLogP of 1.29, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methoxyethoxy)-7-[[6-[(1-methylpiperidin-3-yl)methoxy]-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58129962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).