propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate

C27H34N4O2 — CID 139312187

IUPACpropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3ccncc3)cn12)N1CCC(N(C)C)CC1
InChIInChI=1S/C27H34N4O2/c1-18(2)33-27(32)25-16-24-15-22(21-7-11-28-12-8-21)17-31(24)26(19(25)3)20(4)30-13-9-23(10-14-30)29(5)6/h7-8,11-12,15-18,23H,4,9-10,13-14H2,1-3,5-6H3
InChIKeyPWQPSFKTQHAVCV-UHFFFAOYSA-N
MW446.60 g/mol
LogP4.87
Rot. Bonds6

About propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate

propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate (PubChem CID 139312187) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate
PubChem CID139312187
Molecular FormulaC27H34N4O2
Molecular Weight446.60 g/mol
Exact Mass446.27
IUPAC Namepropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate
SMILESC=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3ccncc3)cn12)N1CCC(N(C)C)CC1
InChIInChI=1S/C27H34N4O2/c1-18(2)33-27(32)25-16-24-15-22(21-7-11-28-12-8-21)17-31(24)26(19(25)3)20(4)30-13-9-23(10-14-30)29(5)6/h7-8,11-12,15-18,23H,4,9-10,13-14H2,1-3,5-6H3
InChIKeyPWQPSFKTQHAVCV-UHFFFAOYSA-N
XLogP4.87
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate?
The IUPAC name of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate (CID 139312187) is propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate is C=C(c1c(C)c(C(=O)OC(C)C)cc2cc(-c3ccncc3)cn12)N1CCC(N(C)C)CC1.
What is the InChIKey of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate?
The InChIKey is PWQPSFKTQHAVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-18(2)33-27(32)25-16-24-15-22(21-7-11-28-12-8-21)17-31(24)26(19(25)3)20(4)30-13-9-23(10-14-30)29(5)6/h7-8,11-12,15-18,23H,4,9-10,13-14H2,1-3,5-6H3.
What are the key properties of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate?
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate has a molecular weight of 446.60 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethenyl]-6-methyl-2-pyridin-4-ylindolizine-7-carboxylate is sourced from PubChem (CID 139312187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).