methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate

C19H14N6O2 — CID 56871622

IUPACmethyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1-c1cc(-c2cc3ccccn3c2)nc(N)c1C#N
InChIInChI=1S/C19H14N6O2/c1-27-19(26)17-15(9-22-24-17)13-7-16(23-18(21)14(13)8-20)11-6-12-4-2-3-5-25(12)10-11/h2-7,9-10H,1H3,(H2,21,23)(H,22,24)
InChIKeyDOBPPCUDAUOMNW-UHFFFAOYSA-N
MW358.36 g/mol
LogP2.63
Rot. Bonds3

About methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate

methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate (PubChem CID 56871622) has the molecular formula C19H14N6O2 and a molecular weight of 358.36 g/mol. Its IUPAC name is methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate
PubChem CID56871622
Molecular FormulaC19H14N6O2
Molecular Weight358.36 g/mol
Exact Mass358.12
IUPAC Namemethyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate
SMILESCOC(=O)c1[nH]ncc1-c1cc(-c2cc3ccccn3c2)nc(N)c1C#N
InChIInChI=1S/C19H14N6O2/c1-27-19(26)17-15(9-22-24-17)13-7-16(23-18(21)14(13)8-20)11-6-12-4-2-3-5-25(12)10-11/h2-7,9-10H,1H3,(H2,21,23)(H,22,24)
InChIKeyDOBPPCUDAUOMNW-UHFFFAOYSA-N
XLogP2.63
TPSA122.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate (CID 56871622) is methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate is COC(=O)c1[nH]ncc1-c1cc(-c2cc3ccccn3c2)nc(N)c1C#N.
What is the InChIKey of methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate?
The InChIKey is DOBPPCUDAUOMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O2/c1-27-19(26)17-15(9-22-24-17)13-7-16(23-18(21)14(13)8-20)11-6-12-4-2-3-5-25(12)10-11/h2-7,9-10H,1H3,(H2,21,23)(H,22,24).
What are the key properties of methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate?
methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate has a molecular weight of 358.36 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-3-cyano-6-indolizin-2-yl-4-pyridinyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 56871622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).