1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione

C20H22ClN5O3 — CID 162667968

IUPAC1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(n2cc(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C20H22ClN5O3/c1-3-15-17(26-11-13(21)4-5-16(26)22-15)19(28)24-8-6-14(7-9-24)25-10-12(2)18(27)23-20(25)29/h4-5,10-11,14H,3,6-9H2,1-2H3,(H,23,27,29)
InChIKeyIQODTTBHPJKBHQ-UHFFFAOYSA-N
MW415.88 g/mol
LogP2.19
Rot. Bonds3

About 1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione

1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 162667968) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is 1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione
PubChem CID162667968
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC Name1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(n2cc(C)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C20H22ClN5O3/c1-3-15-17(26-11-13(21)4-5-16(26)22-15)19(28)24-8-6-14(7-9-24)25-10-12(2)18(27)23-20(25)29/h4-5,10-11,14H,3,6-9H2,1-2H3,(H,23,27,29)
InChIKeyIQODTTBHPJKBHQ-UHFFFAOYSA-N
XLogP2.19
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione (CID 162667968) is 1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione is CCc1nc2ccc(Cl)cn2c1C(=O)N1CCC(n2cc(C)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is IQODTTBHPJKBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-3-15-17(26-11-13(21)4-5-16(26)22-15)19(28)24-8-6-14(7-9-24)25-10-12(2)18(27)23-20(25)29/h4-5,10-11,14H,3,6-9H2,1-2H3,(H,23,27,29).
What are the key properties of 1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione?
1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 415.88 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)piperidin-4-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 162667968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).