tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine

C25H35N7O4 — CID 161439128

IUPACtert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)(C)OC=O.COc1nc(N2CCOCC2)cc(-n2ncc3ccc(N4CCNCC4)cc32)n1
InChIInChI=1S/C20H25N7O2.C5H10O2/c1-28-20-23-18(26-8-10-29-11-9-26)13-19(24-20)27-17-12-16(3-2-15(17)14-22-27)25-6-4-21-5-7-25;1-5(2,3)7-4-6/h2-3,12-14,21H,4-11H2,1H3;4H,1-3H3
InChIKeyVZAPSKRIHLTKBG-UHFFFAOYSA-N
MW497.60 g/mol
LogP2.03
Rot. Bonds5

About tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine

tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine (PubChem CID 161439128) has the molecular formula C25H35N7O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Nametert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine
PubChem CID161439128
Molecular FormulaC25H35N7O4
Molecular Weight497.60 g/mol
Exact Mass497.28
IUPAC Nametert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine
SMILESCC(C)(C)OC=O.COc1nc(N2CCOCC2)cc(-n2ncc3ccc(N4CCNCC4)cc32)n1
InChIInChI=1S/C20H25N7O2.C5H10O2/c1-28-20-23-18(26-8-10-29-11-9-26)13-19(24-20)27-17-12-16(3-2-15(17)14-22-27)25-6-4-21-5-7-25;1-5(2,3)7-4-6/h2-3,12-14,21H,4-11H2,1H3;4H,1-3H3
InChIKeyVZAPSKRIHLTKBG-UHFFFAOYSA-N
XLogP2.03
TPSA106.87 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl formate;6-piperazin-1-yl-1H-indole
CID 175263131
4-[1-(2-methoxy-6-morpholin-4-ylpyrimidin-4-yl)-5-methylindazol-6-yl]piperidin-3-ol
CID 145234277
tert-butyl formate;2-methoxy-5-piperazin-1-ylaniline
CID 159836584
tert-butyl formate;4-piperazin-1-ylbenzaldehyde
CID 175192422
1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid
CID 158369892
tert-butyl formate;1-(3-iodophenyl)piperazine
CID 159699991
tert-butyl formate;2-(4-piperazin-1-ylphenyl)ethanamine
CID 174927711
(3S)-4-[2-methoxy-6-(5-methyl-6-piperidin-4-ylindazol-1-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 153301779
tert-butyl formate;5-piperazin-1-ylpyridine-2-carbonitrile
CID 158770552
(2-bromo-5-piperazin-1-ylphenyl)methanol;tert-butyl formate
CID 174928802
tert-butyl formate;1-(3-methyl-4-nitrophenyl)piperazine
CID 174635518
4-(6-ethenyl-2-methoxypyrimidin-4-yl)morpholine
CID 15869492

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
The IUPAC name of tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine (CID 161439128) is tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
The canonical SMILES for tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine is CC(C)(C)OC=O.COc1nc(N2CCOCC2)cc(-n2ncc3ccc(N4CCNCC4)cc32)n1.
What is the InChIKey of tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
The InChIKey is VZAPSKRIHLTKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O2.C5H10O2/c1-28-20-23-18(26-8-10-29-11-9-26)13-19(24-20)27-17-12-16(3-2-15(17)14-22-27)25-6-4-21-5-7-25;1-5(2,3)7-4-6/h2-3,12-14,21H,4-11H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine?
tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine has a molecular weight of 497.60 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 161439128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).