4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one

C19H20N6O2 — CID 66654021

IUPAC4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1
InChIInChI=1S/C19H20N6O2/c26-15-9-13(1-5-20-15)18(27)25-8-7-24(10-19(11-25)3-4-19)17-14-2-6-21-16(14)22-12-23-17/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H,20,26)(H,21,22,23)
InChIKeyPTIQOEAPJMIEDG-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.39
Rot. Bonds2

About 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one

4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one (PubChem CID 66654021) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one
PubChem CID66654021
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1
InChIInChI=1S/C19H20N6O2/c26-15-9-13(1-5-20-15)18(27)25-8-7-24(10-19(11-25)3-4-19)17-14-2-6-21-16(14)22-12-23-17/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H,20,26)(H,21,22,23)
InChIKeyPTIQOEAPJMIEDG-UHFFFAOYSA-N
XLogP1.39
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one (CID 66654021) is 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCN(c2ncnc3[nH]ccc23)CC2(CC2)C1.
What is the InChIKey of 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one?
The InChIKey is PTIQOEAPJMIEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c26-15-9-13(1-5-20-15)18(27)25-8-7-24(10-19(11-25)3-4-19)17-14-2-6-21-16(14)22-12-23-17/h1-2,5-6,9,12H,3-4,7-8,10-11H2,(H,20,26)(H,21,22,23).
What are the key properties of 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one?
4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one has a molecular weight of 364.41 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-5,8-diazaspiro[2.6]nonane-8-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 66654021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).