3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one

C22H22ClN5O2 — CID 163344965

IUPAC3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C22H22ClN5O2/c23-17-9-16-3-4-18(26-22(16)24-11-17)15-5-7-27(8-6-15)21(30)12-28-13-25-19(10-20(28)29)14-1-2-14/h3-4,9-11,13-15H,1-2,5-8,12H2
InChIKeyMDBTVUKOOIUKSZ-UHFFFAOYSA-N
MW423.90 g/mol
LogP3.12
Rot. Bonds4

About 3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one

3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one (PubChem CID 163344965) has the molecular formula C22H22ClN5O2 and a molecular weight of 423.90 g/mol. Its IUPAC name is 3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
PubChem CID163344965
Molecular FormulaC22H22ClN5O2
Molecular Weight423.90 g/mol
Exact Mass423.15
IUPAC Name3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one
SMILESO=C(Cn1cnc(C2CC2)cc1=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1
InChIInChI=1S/C22H22ClN5O2/c23-17-9-16-3-4-18(26-22(16)24-11-17)15-5-7-27(8-6-15)21(30)12-28-13-25-19(10-20(28)29)14-1-2-14/h3-4,9-11,13-15H,1-2,5-8,12H2
InChIKeyMDBTVUKOOIUKSZ-UHFFFAOYSA-N
XLogP3.12
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.90
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-5,6-dimethylpyrimidin-4-one
CID 163348733
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 163348070
1-[2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 163345225
2-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 163349786
6-chloro-2-(1-ethylsulfonylpiperidin-4-yl)-1,8-naphthyridine
CID 163344099
6-cyclopropyl-3-[2-(4,4-difluoropiperidin-1-yl)-2-oxoethyl]pyrimidin-4-one
CID 139028946
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 163344454
1-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-one
CID 163344936
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-pyrimidin-4-ylmethanone
CID 163344506
6-cyclopropyl-3-[2-oxo-2-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethyl]pyrimidin-4-one
CID 122334466
[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 155974863
6-cyclopropyl-3-[2-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-2-oxoethyl]pyrimidin-4-one
CID 163352343

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
The IUPAC name of 3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one (CID 163344965) is 3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one is O=C(Cn1cnc(C2CC2)cc1=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1.
What is the InChIKey of 3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
The InChIKey is MDBTVUKOOIUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2/c23-17-9-16-3-4-18(26-22(16)24-11-17)15-5-7-27(8-6-15)21(30)12-28-13-25-19(10-20(28)29)14-1-2-14/h3-4,9-11,13-15H,1-2,5-8,12H2.
What are the key properties of 3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one?
3-[2-[4-(6-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one has a molecular weight of 423.90 g/mol, XLogP of 3.12, 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-chloro-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-oxoethyl]-6-cyclopropylpyrimidin-4-one is sourced from PubChem (CID 163344965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).