methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate

C25H32N6O4 — CID 155753721

IUPACmethyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1(OC)CCN(c2nc(Nc3cc(C)n(C4CCCCO4)n3)c3ccccc3n2)CC1
InChIInChI=1S/C25H32N6O4/c1-17-16-20(29-31(17)21-10-6-7-15-35-21)27-22-18-8-4-5-9-19(18)26-24(28-22)30-13-11-25(34-3,12-14-30)23(32)33-2/h4-5,8-9,16,21H,6-7,10-15H2,1-3H3,(H,26,27,28,29)
InChIKeyOLMPVWSIQHWCND-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.74
Rot. Bonds6

About methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate

methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate (PubChem CID 155753721) has the molecular formula C25H32N6O4 and a molecular weight of 480.57 g/mol. Its IUPAC name is methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate
PubChem CID155753721
Molecular FormulaC25H32N6O4
Molecular Weight480.57 g/mol
Exact Mass480.25
IUPAC Namemethyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1(OC)CCN(c2nc(Nc3cc(C)n(C4CCCCO4)n3)c3ccccc3n2)CC1
InChIInChI=1S/C25H32N6O4/c1-17-16-20(29-31(17)21-10-6-7-15-35-21)27-22-18-8-4-5-9-19(18)26-24(28-22)30-13-11-25(34-3,12-14-30)23(32)33-2/h4-5,8-9,16,21H,6-7,10-15H2,1-3H3,(H,26,27,28,29)
InChIKeyOLMPVWSIQHWCND-UHFFFAOYSA-N
XLogP3.74
TPSA103.63 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate (CID 155753721) is methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate is COC(=O)C1(OC)CCN(c2nc(Nc3cc(C)n(C4CCCCO4)n3)c3ccccc3n2)CC1.
What is the InChIKey of methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate?
The InChIKey is OLMPVWSIQHWCND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O4/c1-17-16-20(29-31(17)21-10-6-7-15-35-21)27-22-18-8-4-5-9-19(18)26-24(28-22)30-13-11-25(34-3,12-14-30)23(32)33-2/h4-5,8-9,16,21H,6-7,10-15H2,1-3H3,(H,26,27,28,29).
What are the key properties of methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate?
methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate has a molecular weight of 480.57 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-1-[4-[[5-methyl-1-(oxan-2-yl)pyrazol-3-yl]amino]quinazolin-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 155753721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).