3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one

C25H23ClFN5O3 — CID 118192425

IUPAC3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one
SMILESO=C1Nc2ccnc(N3CCOCC3)c2CN1c1cc2c(cc1Cl)CCC(c1ncccc1F)O2
InChIInChI=1S/C25H23ClFN5O3/c26-17-12-15-3-4-21(23-18(27)2-1-6-28-23)35-22(15)13-20(17)32-14-16-19(30-25(32)33)5-7-29-24(16)31-8-10-34-11-9-31/h1-2,5-7,12-13,21H,3-4,8-11,14H2,(H,30,33)
InChIKeyZAWMXDOHYWCTHQ-UHFFFAOYSA-N
MW495.94 g/mol
LogP4.72
Rot. Bonds3

About 3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one

3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one (PubChem CID 118192425) has the molecular formula C25H23ClFN5O3 and a molecular weight of 495.94 g/mol. Its IUPAC name is 3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one
PubChem CID118192425
Molecular FormulaC25H23ClFN5O3
Molecular Weight495.94 g/mol
Exact Mass495.15
IUPAC Name3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one
SMILESO=C1Nc2ccnc(N3CCOCC3)c2CN1c1cc2c(cc1Cl)CCC(c1ncccc1F)O2
InChIInChI=1S/C25H23ClFN5O3/c26-17-12-15-3-4-21(23-18(27)2-1-6-28-23)35-22(15)13-20(17)32-14-16-19(30-25(32)33)5-7-29-24(16)31-8-10-34-11-9-31/h1-2,5-7,12-13,21H,3-4,8-11,14H2,(H,30,33)
InChIKeyZAWMXDOHYWCTHQ-UHFFFAOYSA-N
XLogP4.72
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.94
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one (CID 118192425) is 3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one is O=C1Nc2ccnc(N3CCOCC3)c2CN1c1cc2c(cc1Cl)CCC(c1ncccc1F)O2.
What is the InChIKey of 3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one?
The InChIKey is ZAWMXDOHYWCTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN5O3/c26-17-12-15-3-4-21(23-18(27)2-1-6-28-23)35-22(15)13-20(17)32-14-16-19(30-25(32)33)5-7-29-24(16)31-8-10-34-11-9-31/h1-2,5-7,12-13,21H,3-4,8-11,14H2,(H,30,33).
What are the key properties of 3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one?
3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one has a molecular weight of 495.94 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-chloro-2-(3-fluoro-2-pyridinyl)-3,4-dihydro-2H-chromen-7-yl]-5-morpholin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 118192425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).