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

C18H19N5O2 — CID 118911560

IUPACfuran-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2ccco2)CC12CC2
InChIInChI=1S/C18H19N5O2/c1-22(16-12-4-7-19-15(12)20-11-21-16)14-9-23(10-18(14)5-6-18)17(24)13-3-2-8-25-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyCUDWPBVJWSJYCS-AWEZNQCLSA-N
MW337.38 g/mol
LogP2.29
Rot. Bonds3

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

furan-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone (PubChem CID 118911560) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is furan-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone
PubChem CID118911560
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Namefuran-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone
SMILESCN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2ccco2)CC12CC2
InChIInChI=1S/C18H19N5O2/c1-22(16-12-4-7-19-15(12)20-11-21-16)14-9-23(10-18(14)5-6-18)17(24)13-3-2-8-25-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,19,20,21)/t14-/m0/s1
InChIKeyCUDWPBVJWSJYCS-AWEZNQCLSA-N
XLogP2.29
TPSA78.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone?
The IUPAC name of furan-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone (CID 118911560) is furan-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone.
What is the SMILES notation for furan-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone?
The canonical SMILES for furan-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone is CN(c1ncnc2[nH]ccc12)[C@H]1CN(C(=O)c2ccco2)CC12CC2.
What is the InChIKey of furan-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone?
The InChIKey is CUDWPBVJWSJYCS-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-22(16-12-4-7-19-15(12)20-11-21-16)14-9-23(10-18(14)5-6-18)17(24)13-3-2-8-25-13/h2-4,7-8,11,14H,5-6,9-10H2,1H3,(H,19,20,21)/t14-/m0/s1.
What are the key properties of furan-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone?
furan-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone has a molecular weight of 337.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]methanone is sourced from PubChem (CID 118911560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).