4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one

C23H17FN6O — CID 134427651

IUPAC4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESC[C@H](Nc1ncnc2[nH]ccc(=O)c12)c1cc2ccc(F)cc2nc1-c1ccccn1
InChIInChI=1S/C23H17FN6O/c1-13(29-23-20-19(31)7-9-26-22(20)27-12-28-23)16-10-14-5-6-15(24)11-18(14)30-21(16)17-4-2-3-8-25-17/h2-13H,1H3,(H2,26,27,28,29,31)/t13-/m0/s1
InChIKeyBTKVPEDEBSFBPI-ZDUSSCGKSA-N
MW412.43 g/mol
LogP4.24
Rot. Bonds4

About 4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one

4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one (PubChem CID 134427651) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is 4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one
PubChem CID134427651
Molecular FormulaC23H17FN6O
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC Name4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one
SMILESC[C@H](Nc1ncnc2[nH]ccc(=O)c12)c1cc2ccc(F)cc2nc1-c1ccccn1
InChIInChI=1S/C23H17FN6O/c1-13(29-23-20-19(31)7-9-26-22(20)27-12-28-23)16-10-14-5-6-15(24)11-18(14)30-21(16)17-4-2-3-8-25-17/h2-13H,1H3,(H2,26,27,28,29,31)/t13-/m0/s1
InChIKeyBTKVPEDEBSFBPI-ZDUSSCGKSA-N
XLogP4.24
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one?
The IUPAC name of 4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one (CID 134427651) is 4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one?
The canonical SMILES for 4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one is C[C@H](Nc1ncnc2[nH]ccc(=O)c12)c1cc2ccc(F)cc2nc1-c1ccccn1.
What is the InChIKey of 4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one?
The InChIKey is BTKVPEDEBSFBPI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H17FN6O/c1-13(29-23-20-19(31)7-9-26-22(20)27-12-28-23)16-10-14-5-6-15(24)11-18(14)30-21(16)17-4-2-3-8-25-17/h2-13H,1H3,(H2,26,27,28,29,31)/t13-/m0/s1.
What are the key properties of 4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one?
4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one has a molecular weight of 412.43 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S)-1-(7-fluoro-2-pyridin-2-ylquinolin-3-yl)ethyl]amino]-8H-pyrido[2,3-d]pyrimidin-5-one is sourced from PubChem (CID 134427651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).