[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone

C19H20N6O — CID 118911484

IUPAC[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2cccnc2)CC12CC2
InChIInChI=1S/C19H20N6O/c1-24(17-14-4-8-21-16(14)22-12-23-17)15-10-25(11-19(15)5-6-19)18(26)13-3-2-7-20-9-13/h2-4,7-9,12,15H,5-6,10-11H2,1H3,(H,21,22,23)/t15-/m0/s1
InChIKeyMUGXUBLUVDIGGY-HNNXBMFYSA-N
MW348.41 g/mol
LogP2.09
Rot. Bonds3

About [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone

[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone (PubChem CID 118911484) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone
PubChem CID118911484
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2cccnc2)CC12CC2
InChIInChI=1S/C19H20N6O/c1-24(17-14-4-8-21-16(14)22-12-23-17)15-10-25(11-19(15)5-6-19)18(26)13-3-2-7-20-9-13/h2-4,7-9,12,15H,5-6,10-11H2,1H3,(H,21,22,23)/t15-/m0/s1
InChIKeyMUGXUBLUVDIGGY-HNNXBMFYSA-N
XLogP2.09
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone (CID 118911484) is [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone is CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2cccnc2)CC12CC2.
What is the InChIKey of [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone?
The InChIKey is MUGXUBLUVDIGGY-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-24(17-14-4-8-21-16(14)22-12-23-17)15-10-25(11-19(15)5-6-19)18(26)13-3-2-7-20-9-13/h2-4,7-9,12,15H,5-6,10-11H2,1H3,(H,21,22,23)/t15-/m0/s1.
What are the key properties of [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone?
[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone has a molecular weight of 348.41 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 118911484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).