methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate

C17H23N5O4 — CID 142411634

IUPACmethyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2cnn(CCNC(=O)OC(C)(C)C)c2)c1N
InChIInChI=1S/C17H23N5O4/c1-17(2,3)26-16(24)20-5-6-22-10-11(7-21-22)12-8-19-9-13(14(12)18)15(23)25-4/h7-10H,5-6H2,1-4H3,(H2,18,19)(H,20,24)
InChIKeyWINDMHQUMNZAIQ-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.84
Rot. Bonds5

About methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate

methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate (PubChem CID 142411634) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate
PubChem CID142411634
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC Namemethyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(-c2cnn(CCNC(=O)OC(C)(C)C)c2)c1N
InChIInChI=1S/C17H23N5O4/c1-17(2,3)26-16(24)20-5-6-22-10-11(7-21-22)12-8-19-9-13(14(12)18)15(23)25-4/h7-10H,5-6H2,1-4H3,(H2,18,19)(H,20,24)
InChIKeyWINDMHQUMNZAIQ-UHFFFAOYSA-N
XLogP1.84
TPSA121.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate?
The IUPAC name of methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate (CID 142411634) is methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate?
The canonical SMILES for methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate is COC(=O)c1cncc(-c2cnn(CCNC(=O)OC(C)(C)C)c2)c1N.
What is the InChIKey of methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate?
The InChIKey is WINDMHQUMNZAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O4/c1-17(2,3)26-16(24)20-5-6-22-10-11(7-21-22)12-8-19-9-13(14(12)18)15(23)25-4/h7-10H,5-6H2,1-4H3,(H2,18,19)(H,20,24).
What are the key properties of methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate?
methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazol-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 142411634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).