(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C25H30N6O2 — CID 71838007

IUPAC(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3nc(N4CCCC4)c4c(C)cc(C)nc4n3)CC2)c1
InChIInChI=1S/C25H30N6O2/c1-17-15-18(2)26-22-21(17)24(30-9-4-5-10-30)28-23(27-22)25(32)31-13-11-29(12-14-31)19-7-6-8-20(16-19)33-3/h6-8,15-16H,4-5,9-14H2,1-3H3
InChIKeyYFIIYKXOSGFZDJ-UHFFFAOYSA-N
MW446.56 g/mol
LogP3.21
Rot. Bonds4

About (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 71838007) has the molecular formula C25H30N6O2 and a molecular weight of 446.56 g/mol. Its IUPAC name is (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID71838007
Molecular FormulaC25H30N6O2
Molecular Weight446.56 g/mol
Exact Mass446.24
IUPAC Name(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3nc(N4CCCC4)c4c(C)cc(C)nc4n3)CC2)c1
InChIInChI=1S/C25H30N6O2/c1-17-15-18(2)26-22-21(17)24(30-9-4-5-10-30)28-23(27-22)25(32)31-13-11-29(12-14-31)19-7-6-8-20(16-19)33-3/h6-8,15-16H,4-5,9-14H2,1-3H3
InChIKeyYFIIYKXOSGFZDJ-UHFFFAOYSA-N
XLogP3.21
TPSA74.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-pyrrolidin-1-ylmethanone
CID 53168237
N-(4-methoxy-2-methylphenyl)-5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidine-2-carboxamide
CID 53168185
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
(5,7-dimethyl-4-thiomorpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 71837921
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42691115
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
(2-hydroxy-5-methoxyphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 112789681
(5,7-dimethyl-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-(4-propylpiperazin-1-yl)methanone
CID 71837946
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 38575552
1-(3-methoxyphenyl)azepane
CID 57276431
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 71838007) is (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3nc(N4CCCC4)c4c(C)cc(C)nc4n3)CC2)c1.
What is the InChIKey of (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is YFIIYKXOSGFZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O2/c1-17-15-18(2)26-22-21(17)24(30-9-4-5-10-30)28-23(27-22)25(32)31-13-11-29(12-14-31)19-7-6-8-20(16-19)33-3/h6-8,15-16H,4-5,9-14H2,1-3H3.
What are the key properties of (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 446.56 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 71838007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).