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

C17H22N6O2 — CID 118911507

IUPACN-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1C[C@H](N(C)c2ncnc3[nH]ccc23)C2(CC2)C1
InChIInChI=1S/C17H22N6O2/c1-11(24)19-7-14(25)23-8-13(17(9-23)4-5-17)22(2)16-12-3-6-18-15(12)20-10-21-16/h3,6,10,13H,4-5,7-9H2,1-2H3,(H,19,24)(H,18,20,21)/t13-/m0/s1
InChIKeyUCJJHBAXMVOLTL-ZDUSSCGKSA-N
MW342.40 g/mol
LogP0.52
Rot. Bonds4

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

N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide (PubChem CID 118911507) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide
PubChem CID118911507
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1C[C@H](N(C)c2ncnc3[nH]ccc23)C2(CC2)C1
InChIInChI=1S/C17H22N6O2/c1-11(24)19-7-14(25)23-8-13(17(9-23)4-5-17)22(2)16-12-3-6-18-15(12)20-10-21-16/h3,6,10,13H,4-5,7-9H2,1-2H3,(H,19,24)(H,18,20,21)/t13-/m0/s1
InChIKeyUCJJHBAXMVOLTL-ZDUSSCGKSA-N
XLogP0.52
TPSA94.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide (CID 118911507) is N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1C[C@H](N(C)c2ncnc3[nH]ccc23)C2(CC2)C1.
What is the InChIKey of N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide?
The InChIKey is UCJJHBAXMVOLTL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-11(24)19-7-14(25)23-8-13(17(9-23)4-5-17)22(2)16-12-3-6-18-15(12)20-10-21-16/h3,6,10,13H,4-5,7-9H2,1-2H3,(H,19,24)(H,18,20,21)/t13-/m0/s1.
What are the key properties of N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide?
N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(7R)-7-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-azaspiro[2.4]heptan-5-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 118911507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).