2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C23H33N7O — CID 143852541

IUPAC2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCc1cnc(N2CCC(COC3CCN(c4ncc5c(n4)CCNC5)C3)CC2)nc1
InChIInChI=1S/C23H33N7O/c1-2-17-11-25-22(26-12-17)29-8-4-18(5-9-29)16-31-20-6-10-30(15-20)23-27-14-19-13-24-7-3-21(19)28-23/h11-12,14,18,20,24H,2-10,13,15-16H2,1H3
InChIKeyAZEPEVYFAXEHBM-UHFFFAOYSA-N
MW423.57 g/mol
LogP1.99
Rot. Bonds6

About 2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 143852541) has the molecular formula C23H33N7O and a molecular weight of 423.57 g/mol. Its IUPAC name is 2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID143852541
Molecular FormulaC23H33N7O
Molecular Weight423.57 g/mol
Exact Mass423.27
IUPAC Name2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCc1cnc(N2CCC(COC3CCN(c4ncc5c(n4)CCNC5)C3)CC2)nc1
InChIInChI=1S/C23H33N7O/c1-2-17-11-25-22(26-12-17)29-8-4-18(5-9-29)16-31-20-6-10-30(15-20)23-27-14-19-13-24-7-3-21(19)28-23/h11-12,14,18,20,24H,2-10,13,15-16H2,1H3
InChIKeyAZEPEVYFAXEHBM-UHFFFAOYSA-N
XLogP1.99
TPSA79.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.57
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine with MolForge

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Related Compounds

[1-(5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278796
2-[1-(5-ethylpyrimidin-2-yl)pyrrolidin-3-yl]oxy-5-methoxypyrimidine
CID 163348119
2-[4-(1,2-dihydropyridin-4-yloxy)piperidin-1-yl]-5-ethylpyrimidine
CID 142711209
2-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-5-(6-methylsulfonyl-3-pyridinyl)-1,3-thiazole
CID 71657148
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-N-methylethanamine
CID 116976316
4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]cyclohexyl]-3-fluoro-N,N-dimethylbenzamide
CID 66556464
[4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-piperazin-1-ylmethanone
CID 129104890
2-[3-[[2-(5-ethylpyrimidin-2-yl)-3,4-dihydro-1H-isoquinolin-5-yl]oxy]azetidin-1-yl]-6-sulfanyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 143852528
5-ethyl-2-(4-propan-2-ylpiperidin-1-yl)pyrimidine;propane
CID 145380179
2-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 105473150
2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy-5-ethylpyrimidine
CID 138988924
2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-6-methylpyrazine
CID 171700905

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 143852541) is 2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCc1cnc(N2CCC(COC3CCN(c4ncc5c(n4)CCNC5)C3)CC2)nc1.
What is the InChIKey of 2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is AZEPEVYFAXEHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N7O/c1-2-17-11-25-22(26-12-17)29-8-4-18(5-9-29)16-31-20-6-10-30(15-20)23-27-14-19-13-24-7-3-21(19)28-23/h11-12,14,18,20,24H,2-10,13,15-16H2,1H3.
What are the key properties of 2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 423.57 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrrolidin-1-yl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 143852541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).