3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

C24H26FN5O — CID 19773183

IUPAC3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCN1CCC(c2nn(C)c3cc(F)ccc23)CC1
InChIInChI=1S/C24H26FN5O/c1-16-19(24(31)30-11-4-3-5-22(30)26-16)10-14-29-12-8-17(9-13-29)23-20-7-6-18(25)15-21(20)28(2)27-23/h3-7,11,15,17H,8-10,12-14H2,1-2H3
InChIKeyZVZYZCZORNSGDK-UHFFFAOYSA-N
MW419.50 g/mol
LogP3.45
Rot. Bonds4

About 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 19773183) has the molecular formula C24H26FN5O and a molecular weight of 419.50 g/mol. Its IUPAC name is 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID19773183
Molecular FormulaC24H26FN5O
Molecular Weight419.50 g/mol
Exact Mass419.21
IUPAC Name3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CCN1CCC(c2nn(C)c3cc(F)ccc23)CC1
InChIInChI=1S/C24H26FN5O/c1-16-19(24(31)30-11-4-3-5-22(30)26-16)10-14-29-12-8-17(9-13-29)23-20-7-6-18(25)15-21(20)28(2)27-23/h3-7,11,15,17H,8-10,12-14H2,1-2H3
InChIKeyZVZYZCZORNSGDK-UHFFFAOYSA-N
XLogP3.45
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.50
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 19773183) is 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccccn2c(=O)c1CCN1CCC(c2nn(C)c3cc(F)ccc23)CC1.
What is the InChIKey of 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZVZYZCZORNSGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O/c1-16-19(24(31)30-11-4-3-5-22(30)26-16)10-14-29-12-8-17(9-13-29)23-20-7-6-18(25)15-21(20)28(2)27-23/h3-7,11,15,17H,8-10,12-14H2,1-2H3.
What are the key properties of 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 419.50 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(6-fluoro-1-methylindazol-3-yl)piperidin-1-yl]ethyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 19773183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).