[4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

C24H37N7O — CID 53168262

IUPAC[4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCCN(CC)c1nc(C(=O)N2CCN(C3CCN(C)CC3)CC2)nc2nc(C)cc(C)c12
InChIInChI=1S/C24H37N7O/c1-6-29(7-2)23-20-17(3)16-18(4)25-21(20)26-22(27-23)24(32)31-14-12-30(13-15-31)19-8-10-28(5)11-9-19/h16,19H,6-15H2,1-5H3
InChIKeyXDHWPIQDNJIEDU-UHFFFAOYSA-N
MW439.61 g/mol
LogP2.34
Rot. Bonds5

About [4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone

[4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (PubChem CID 53168262) has the molecular formula C24H37N7O and a molecular weight of 439.61 g/mol. Its IUPAC name is [4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
PubChem CID53168262
Molecular FormulaC24H37N7O
Molecular Weight439.61 g/mol
Exact Mass439.31
IUPAC Name[4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
SMILESCCN(CC)c1nc(C(=O)N2CCN(C3CCN(C)CC3)CC2)nc2nc(C)cc(C)c12
InChIInChI=1S/C24H37N7O/c1-6-29(7-2)23-20-17(3)16-18(4)25-21(20)26-22(27-23)24(32)31-14-12-30(13-15-31)19-8-10-28(5)11-9-19/h16,19H,6-15H2,1-5H3
InChIKeyXDHWPIQDNJIEDU-UHFFFAOYSA-N
XLogP2.34
TPSA68.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.61
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of [4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone (CID 53168262) is [4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is CCN(CC)c1nc(C(=O)N2CCN(C3CCN(C)CC3)CC2)nc2nc(C)cc(C)c12.
What is the InChIKey of [4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is XDHWPIQDNJIEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N7O/c1-6-29(7-2)23-20-17(3)16-18(4)25-21(20)26-22(27-23)24(32)31-14-12-30(13-15-31)19-8-10-28(5)11-9-19/h16,19H,6-15H2,1-5H3.
What are the key properties of [4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone?
[4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 439.61 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylamino)-5,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 53168262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).