propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate

C22H26N4O3 — CID 139311116

IUPACpropan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OC(C)C)cc2c(-c3cn[nH]c3)ccn12)N1CCOCC1
InChIInChI=1S/C22H26N4O3/c1-14(2)29-22(27)19-11-20-18(17-12-23-24-13-17)5-6-26(20)21(15(19)3)16(4)25-7-9-28-10-8-25/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,24)
InChIKeyPHMYXTFQBJMIQT-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.51
Rot. Bonds5

About propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate

propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate (PubChem CID 139311116) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate
PubChem CID139311116
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Namepropan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OC(C)C)cc2c(-c3cn[nH]c3)ccn12)N1CCOCC1
InChIInChI=1S/C22H26N4O3/c1-14(2)29-22(27)19-11-20-18(17-12-23-24-13-17)5-6-26(20)21(15(19)3)16(4)25-7-9-28-10-8-25/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,24)
InChIKeyPHMYXTFQBJMIQT-UHFFFAOYSA-N
XLogP3.51
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate (CID 139311116) is propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate is C=C(c1c(C)c(C(=O)OC(C)C)cc2c(-c3cn[nH]c3)ccn12)N1CCOCC1.
What is the InChIKey of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate?
The InChIKey is PHMYXTFQBJMIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14(2)29-22(27)19-11-20-18(17-12-23-24-13-17)5-6-26(20)21(15(19)3)16(4)25-7-9-28-10-8-25/h5-6,11-14H,4,7-10H2,1-3H3,(H,23,24).
What are the key properties of propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate?
propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate has a molecular weight of 394.48 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-methyl-5-(1-morpholin-4-ylethenyl)-1-(1H-pyrazol-4-yl)indolizine-7-carboxylate is sourced from PubChem (CID 139311116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).