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

C23H32N6O4 — CID 58130013

IUPAC4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCN1CCC(Oc2ccc(CN3C(=O)Cc4c(N)nc(OCCOC)nc43)cn2)CC1
InChIInChI=1S/C23H32N6O4/c1-3-8-28-9-6-17(7-10-28)33-19-5-4-16(14-25-19)15-29-20(30)13-18-21(24)26-23(27-22(18)29)32-12-11-31-2/h4-5,14,17H,3,6-13,15H2,1-2H3,(H2,24,26,27)
InChIKeyAZUQUZWXRCOOJH-UHFFFAOYSA-N
MW456.55 g/mol
LogP1.82
Rot. Bonds10

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

4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 58130013) has the molecular formula C23H32N6O4 and a molecular weight of 456.55 g/mol. Its IUPAC name is 4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID58130013
Molecular FormulaC23H32N6O4
Molecular Weight456.55 g/mol
Exact Mass456.25
IUPAC Name4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCCN1CCC(Oc2ccc(CN3C(=O)Cc4c(N)nc(OCCOC)nc43)cn2)CC1
InChIInChI=1S/C23H32N6O4/c1-3-8-28-9-6-17(7-10-28)33-19-5-4-16(14-25-19)15-29-20(30)13-18-21(24)26-23(27-22(18)29)32-12-11-31-2/h4-5,14,17H,3,6-13,15H2,1-2H3,(H2,24,26,27)
InChIKeyAZUQUZWXRCOOJH-UHFFFAOYSA-N
XLogP1.82
TPSA115.93 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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6-amino-2-(butylamino)-9-[[6-[4-(dimethylamino)butoxy]-3-pyridinyl]methyl]-7H-purin-8-one
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6-amino-2-(butylamino)-9-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]-7H-purin-8-one
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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-(oxolan-3-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
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Propan-2-yl 4-[[7-(5-fluoro-2-pyridinyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl]oxy]piperidine-1-carboxylate
CID 44177593
[(3aS,7aR)-3a-(pyridin-2-yloxymethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-pyrimidin-2-ylmethanone
CID 97422661
2-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-7-[[4-[4-(trifluoromethyl)-4H-imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157772106
2-(4-methoxyphenyl)-4-methyl-7-(3-pyridylmethyl)-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 58130013) is 4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-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-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCCN1CCC(Oc2ccc(CN3C(=O)Cc4c(N)nc(OCCOC)nc43)cn2)CC1.
What is the InChIKey of 4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is AZUQUZWXRCOOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O4/c1-3-8-28-9-6-17(7-10-28)33-19-5-4-16(14-25-19)15-29-20(30)13-18-21(24)26-23(27-22(18)29)32-12-11-31-2/h4-5,14,17H,3,6-13,15H2,1-2H3,(H2,24,26,27).
What are the key properties of 4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4-amino-2-(2-methoxyethoxy)-7-[[6-(1-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 456.55 g/mol, XLogP of 1.82, 10 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-propylpiperidin-4-yl)oxy-3-pyridinyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 58130013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).