5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

C24H30FN5O — CID 50924429

IUPAC5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C3CCN(C(C)C)CC3)c(F)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C24H30FN5O/c1-5-26-23-22-21(27-14-29(4)24(22)31)13-20(28-23)17-6-7-18(19(25)12-17)16-8-10-30(11-9-16)15(2)3/h6-7,12-16H,5,8-11H2,1-4H3,(H,26,28)
InChIKeyMXYGSRPBKIJXQW-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.15
Rot. Bonds5

About 5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one

5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (PubChem CID 50924429) has the molecular formula C24H30FN5O and a molecular weight of 423.54 g/mol. Its IUPAC name is 5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
PubChem CID50924429
Molecular FormulaC24H30FN5O
Molecular Weight423.54 g/mol
Exact Mass423.24
IUPAC Name5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one
SMILESCCNc1nc(-c2ccc(C3CCN(C(C)C)CC3)c(F)c2)cc2ncn(C)c(=O)c12
InChIInChI=1S/C24H30FN5O/c1-5-26-23-22-21(27-14-29(4)24(22)31)13-20(28-23)17-6-7-18(19(25)12-17)16-8-10-30(11-9-16)15(2)3/h6-7,12-16H,5,8-11H2,1-4H3,(H,26,28)
InChIKeyMXYGSRPBKIJXQW-UHFFFAOYSA-N
XLogP4.15
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one (CID 50924429) is 5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is CCNc1nc(-c2ccc(C3CCN(C(C)C)CC3)c(F)c2)cc2ncn(C)c(=O)c12.
What is the InChIKey of 5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MXYGSRPBKIJXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN5O/c1-5-26-23-22-21(27-14-29(4)24(22)31)13-20(28-23)17-6-7-18(19(25)12-17)16-8-10-30(11-9-16)15(2)3/h6-7,12-16H,5,8-11H2,1-4H3,(H,26,28).
What are the key properties of 5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one?
5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one has a molecular weight of 423.54 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylamino)-7-[3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 50924429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).