4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

C19H23N5O3 — CID 124989804

IUPAC4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cc(C(=O)N2CCC[C@](C)(c3nc(C)c4c(n3)N(C)C(=O)C4)C2)no1
InChIInChI=1S/C19H23N5O3/c1-11-8-14(22-27-11)17(26)24-7-5-6-19(3,10-24)18-20-12(2)13-9-15(25)23(4)16(13)21-18/h8H,5-7,9-10H2,1-4H3/t19-/m0/s1
InChIKeyOWYAKPMDBQSKSC-IBGZPJMESA-N
MW369.43 g/mol
LogP1.79
Rot. Bonds2

About 4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one

4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 124989804) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID124989804
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cc(C(=O)N2CCC[C@](C)(c3nc(C)c4c(n3)N(C)C(=O)C4)C2)no1
InChIInChI=1S/C19H23N5O3/c1-11-8-14(22-27-11)17(26)24-7-5-6-19(3,10-24)18-20-12(2)13-9-15(25)23(4)16(13)21-18/h8H,5-7,9-10H2,1-4H3/t19-/m0/s1
InChIKeyOWYAKPMDBQSKSC-IBGZPJMESA-N
XLogP1.79
TPSA92.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 124989804) is 4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1cc(C(=O)N2CCC[C@](C)(c3nc(C)c4c(n3)N(C)C(=O)C4)C2)no1.
What is the InChIKey of 4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is OWYAKPMDBQSKSC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H23N5O3/c1-11-8-14(22-27-11)17(26)24-7-5-6-19(3,10-24)18-20-12(2)13-9-15(25)23(4)16(13)21-18/h8H,5-7,9-10H2,1-4H3/t19-/m0/s1.
What are the key properties of 4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 369.43 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-[(3S)-3-methyl-1-(5-methyl-1,2-oxazole-3-carbonyl)piperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 124989804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).