propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate

C27H41N5O2 — CID 142300730

IUPACpropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate
SMILESCC1=C(C(C)N2CCC(N(C)C)CC2)N2C=C(c3ccnn3C)C(C)C2C=C1C(=O)OC(C)C
InChIInChI=1S/C27H41N5O2/c1-17(2)34-27(33)22-15-25-18(3)23(24-9-12-28-30(24)8)16-32(25)26(19(22)4)20(5)31-13-10-21(11-14-31)29(6)7/h9,12,15-18,20-21,25H,10-11,13-14H2,1-8H3
InChIKeyPAAIKXXVAINRTG-UHFFFAOYSA-N
MW467.66 g/mol
LogP3.66
Rot. Bonds6

About propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate

propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate (PubChem CID 142300730) has the molecular formula C27H41N5O2 and a molecular weight of 467.66 g/mol. Its IUPAC name is propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate
PubChem CID142300730
Molecular FormulaC27H41N5O2
Molecular Weight467.66 g/mol
Exact Mass467.33
IUPAC Namepropan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate
SMILESCC1=C(C(C)N2CCC(N(C)C)CC2)N2C=C(c3ccnn3C)C(C)C2C=C1C(=O)OC(C)C
InChIInChI=1S/C27H41N5O2/c1-17(2)34-27(33)22-15-25-18(3)23(24-9-12-28-30(24)8)16-32(25)26(19(22)4)20(5)31-13-10-21(11-14-31)29(6)7/h9,12,15-18,20-21,25H,10-11,13-14H2,1-8H3
InChIKeyPAAIKXXVAINRTG-UHFFFAOYSA-N
XLogP3.66
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.66
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate?
The IUPAC name of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate (CID 142300730) is propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate.
What is the SMILES notation for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate?
The canonical SMILES for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate is CC1=C(C(C)N2CCC(N(C)C)CC2)N2C=C(c3ccnn3C)C(C)C2C=C1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate?
The InChIKey is PAAIKXXVAINRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O2/c1-17(2)34-27(33)22-15-25-18(3)23(24-9-12-28-30(24)8)16-32(25)26(19(22)4)20(5)31-13-10-21(11-14-31)29(6)7/h9,12,15-18,20-21,25H,10-11,13-14H2,1-8H3.
What are the key properties of propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate?
propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate has a molecular weight of 467.66 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-1,6-dimethyl-2-(2-methylpyrazol-3-yl)-1,8a-dihydroindolizine-7-carboxylate is sourced from PubChem (CID 142300730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).