5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane

C23H30ClN5O3 — CID 145209918

IUPAC5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
SMILESCC.COc1nccc(-c2c[nH]c3nc(N4CCC5(CCOC5)CC4)n(C)c(=O)c23)c1Cl
InChIInChI=1S/C21H24ClN5O3.C2H6/c1-26-19(28)15-14(13-3-7-23-18(29-2)16(13)22)11-24-17(15)25-20(26)27-8-4-21(5-9-27)6-10-30-12-21;1-2/h3,7,11,24H,4-6,8-10,12H2,1-2H3;1-2H3
InChIKeyZDELRHRCQBGDIA-UHFFFAOYSA-N
MW459.98 g/mol
LogP4.02
Rot. Bonds3

About 5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane

5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane (PubChem CID 145209918) has the molecular formula C23H30ClN5O3 and a molecular weight of 459.98 g/mol. Its IUPAC name is 5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane.

Molecular Properties

Compound Name5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
PubChem CID145209918
Molecular FormulaC23H30ClN5O3
Molecular Weight459.98 g/mol
Exact Mass459.20
IUPAC Name5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane
SMILESCC.COc1nccc(-c2c[nH]c3nc(N4CCC5(CCOC5)CC4)n(C)c(=O)c23)c1Cl
InChIInChI=1S/C21H24ClN5O3.C2H6/c1-26-19(28)15-14(13-3-7-23-18(29-2)16(13)22)11-24-17(15)25-20(26)27-8-4-21(5-9-27)6-10-30-12-21;1-2/h3,7,11,24H,4-6,8-10,12H2,1-2H3;1-2H3
InChIKeyZDELRHRCQBGDIA-UHFFFAOYSA-N
XLogP4.02
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane with MolForge

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Related Compounds

3-chloro-N-methyl-4-[7-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,6,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-12-yl]pyridin-2-amine
CID 166973980
6-amino-5-[(2-methoxy-3-methyl-4-pyridinyl)sulfanyl]-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 155002582
6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 145210095
2-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(4-chloro-2-methylindazol-5-yl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146307861
6-amino-5-(2-chloro-3-methylphenyl)sulfanyl-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 155002575
5-(4-chloro-2-methylindazol-5-yl)-2-(1,9-diazaspiro[5.5]undecan-9-yl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146307729
2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(2-ethyl-4-fluoroindazol-5-yl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146307604
5-(4-chloro-2-methylindazol-5-yl)sulfanyl-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
CID 167215300
7-(3-methoxypyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane
CID 84586688
5-methyl-3-[2-(1-methylimidazol-4-yl)ethynyl]-6-(2-oxa-8-azaspiro[4.5]decan-8-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 156525215
2-[(4S)-4-amino-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-(2-ethyl-7-fluoroindazol-6-yl)-3-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-one
CID 146307617
5-butan-2-yl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 139525837

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
The IUPAC name of 5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane (CID 145209918) is 5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane.
What is the SMILES notation for 5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
The canonical SMILES for 5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane is CC.COc1nccc(-c2c[nH]c3nc(N4CCC5(CCOC5)CC4)n(C)c(=O)c23)c1Cl.
What is the InChIKey of 5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
The InChIKey is ZDELRHRCQBGDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN5O3.C2H6/c1-26-19(28)15-14(13-3-7-23-18(29-2)16(13)22)11-24-17(15)25-20(26)27-8-4-21(5-9-27)6-10-30-12-21;1-2/h3,7,11,24H,4-6,8-10,12H2,1-2H3;1-2H3.
What are the key properties of 5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane?
5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane has a molecular weight of 459.98 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methoxy-4-pyridinyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-one;ethane is sourced from PubChem (CID 145209918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).