oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate

C20H22N6O4 — CID 67038202

IUPACoxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
SMILESN#Cc1cnccc1COc1cnc(N2CCN(C(=O)OC3CCOC3)CC2)nc1
InChIInChI=1S/C20H22N6O4/c21-9-16-10-22-3-1-15(16)13-29-18-11-23-19(24-12-18)25-4-6-26(7-5-25)20(27)30-17-2-8-28-14-17/h1,3,10-12,17H,2,4-8,13-14H2
InChIKeyRAUPTGZJXGKYBU-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.37
Rot. Bonds5

About oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate

oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate (PubChem CID 67038202) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
PubChem CID67038202
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Nameoxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
SMILESN#Cc1cnccc1COc1cnc(N2CCN(C(=O)OC3CCOC3)CC2)nc1
InChIInChI=1S/C20H22N6O4/c21-9-16-10-22-3-1-15(16)13-29-18-11-23-19(24-12-18)25-4-6-26(7-5-25)20(27)30-17-2-8-28-14-17/h1,3,10-12,17H,2,4-8,13-14H2
InChIKeyRAUPTGZJXGKYBU-UHFFFAOYSA-N
XLogP1.37
TPSA113.70 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

(2R)-2-(2-cyanopropan-2-yl)-4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]-3-methylpiperazine-1-carboxylic acid
CID 67037456
oxolan-3-yl 4-pyrimidin-2-ylpiperidine-1-carboxylate
CID 154786047
[6-[(3S)-oxolan-3-yl]oxy-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 100730810
oxolan-3-yl 4-[2-(1-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 142563309
phenyl 4-(3-cyano-2-pyridinyl)piperazine-1-carboxylate
CID 51278531
2-[[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]methyl]benzonitrile
CID 67626629
4-[[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 171358976
oxolan-3-yl 4-[(4-methylphenyl)carbamoyl]piperazine-1-carboxylate
CID 154770115
1-[4-[2-(4-acetylpiperazin-1-yl)pyrimidin-5-yl]oxypiperidin-1-yl]ethanone
CID 166445399
(3S)-3-[(4-cyano-3-pyridinyl)oxymethyl]morpholine-4-carboxylic acid
CID 166773309
oxolan-3-yl 4-[4-(quinolin-8-ylsulfonylamino)benzoyl]piperazine-1-carboxylate
CID 59634750
tert-butyl 4-[5-[[4-(2-morpholin-4-ylethylsulfonyl)phenyl]methoxy]pyrimidin-2-yl]piperazine-1-carboxylate
CID 51030808

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate?
The IUPAC name of oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate (CID 67038202) is oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate.
What is the SMILES notation for oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate?
The canonical SMILES for oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate is N#Cc1cnccc1COc1cnc(N2CCN(C(=O)OC3CCOC3)CC2)nc1.
What is the InChIKey of oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate?
The InChIKey is RAUPTGZJXGKYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c21-9-16-10-22-3-1-15(16)13-29-18-11-23-19(24-12-18)25-4-6-26(7-5-25)20(27)30-17-2-8-28-14-17/h1,3,10-12,17H,2,4-8,13-14H2.
What are the key properties of oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate?
oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate has a molecular weight of 410.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 4-[5-[(3-cyano-4-pyridinyl)methoxy]pyrimidin-2-yl]piperazine-1-carboxylate is sourced from PubChem (CID 67038202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).