N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide

C19H17FN6O2 — CID 171497341

IUPACN-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)Nc2cccnc2C12CC2)c1ncc(C#N)cc1F
InChIInChI=1S/C19H17FN6O2/c1-11(16-13(20)7-12(8-21)9-23-16)24-15(27)10-26-18(28)25-14-3-2-6-22-17(14)19(26)4-5-19/h2-3,6-7,9,11H,4-5,10H2,1H3,(H,24,27)(H,25,28)/t11-/m1/s1
InChIKeyIPCBCFFZBUKBQZ-LLVKDONJSA-N
MW380.38 g/mol
LogP2.20
Rot. Bonds4

About N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide

N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide (PubChem CID 171497341) has the molecular formula C19H17FN6O2 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide
PubChem CID171497341
Molecular FormulaC19H17FN6O2
Molecular Weight380.38 g/mol
Exact Mass380.14
IUPAC NameN-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide
SMILESC[C@@H](NC(=O)CN1C(=O)Nc2cccnc2C12CC2)c1ncc(C#N)cc1F
InChIInChI=1S/C19H17FN6O2/c1-11(16-13(20)7-12(8-21)9-23-16)24-15(27)10-26-18(28)25-14-3-2-6-22-17(14)19(26)4-5-19/h2-3,6-7,9,11H,4-5,10H2,1H3,(H,24,27)(H,25,28)/t11-/m1/s1
InChIKeyIPCBCFFZBUKBQZ-LLVKDONJSA-N
XLogP2.20
TPSA111.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide (CID 171497341) is N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide is C[C@@H](NC(=O)CN1C(=O)Nc2cccnc2C12CC2)c1ncc(C#N)cc1F.
What is the InChIKey of N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide?
The InChIKey is IPCBCFFZBUKBQZ-LLVKDONJSA-N. The full InChI is InChI=1S/C19H17FN6O2/c1-11(16-13(20)7-12(8-21)9-23-16)24-15(27)10-26-18(28)25-14-3-2-6-22-17(14)19(26)4-5-19/h2-3,6-7,9,11H,4-5,10H2,1H3,(H,24,27)(H,25,28)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide?
N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide has a molecular weight of 380.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-cyano-3-fluoro-2-pyridinyl)ethyl]-2-(2-oxospiro[1H-pyrido[3,2-d]pyrimidine-4,1'-cyclopropane]-3-yl)acetamide is sourced from PubChem (CID 171497341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).