propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate

C32H45N5O5 — CID 139311086

IUPACpropan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C32H45N5O5/c1-21(2)41-30(38)28-17-27-16-24(19-36(27)29(22(28)3)23(4)34-12-14-40-15-13-34)25-18-33-37(20-25)26-8-10-35(11-9-26)31(39)42-32(5,6)7/h16-21,23,26H,8-15H2,1-7H3
InChIKeyLDGOMPKNCHCUJJ-UHFFFAOYSA-N
MW579.74 g/mol
LogP5.64
Rot. Bonds6

About propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate

propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate (PubChem CID 139311086) has the molecular formula C32H45N5O5 and a molecular weight of 579.74 g/mol. Its IUPAC name is propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
PubChem CID139311086
Molecular FormulaC32H45N5O5
Molecular Weight579.74 g/mol
Exact Mass579.34
IUPAC Namepropan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate
SMILESCc1c(C(=O)OC(C)C)cc2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2c1C(C)N1CCOCC1
InChIInChI=1S/C32H45N5O5/c1-21(2)41-30(38)28-17-27-16-24(19-36(27)29(22(28)3)23(4)34-12-14-40-15-13-34)25-18-33-37(20-25)26-8-10-35(11-9-26)31(39)42-32(5,6)7/h16-21,23,26H,8-15H2,1-7H3
InChIKeyLDGOMPKNCHCUJJ-UHFFFAOYSA-N
XLogP5.64
TPSA90.54 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.74
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?
The IUPAC name of propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate (CID 139311086) is propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate is Cc1c(C(=O)OC(C)C)cc2cc(-c3cnn(C4CCN(C(=O)OC(C)(C)C)CC4)c3)cn2c1C(C)N1CCOCC1.
What is the InChIKey of propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?
The InChIKey is LDGOMPKNCHCUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N5O5/c1-21(2)41-30(38)28-17-27-16-24(19-36(27)29(22(28)3)23(4)34-12-14-40-15-13-34)25-18-33-37(20-25)26-8-10-35(11-9-26)31(39)42-32(5,6)7/h16-21,23,26H,8-15H2,1-7H3.
What are the key properties of propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate?
propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate has a molecular weight of 579.74 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-methyl-2-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylate is sourced from PubChem (CID 139311086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).