1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one

C24H27N5O — CID 127039448

IUPAC1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12
InChIInChI=1S/C24H27N5O/c1-17(2)24(30)22-16-19(20-5-4-6-23-25-8-10-29(20)23)21-15-18(7-9-28(21)22)27-13-11-26(3)12-14-27/h4-10,15-17H,11-14H2,1-3H3
InChIKeyMVAAQBPLRMHHAA-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.84
Rot. Bonds4

About 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one

1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one (PubChem CID 127039448) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one
PubChem CID127039448
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12
InChIInChI=1S/C24H27N5O/c1-17(2)24(30)22-16-19(20-5-4-6-23-25-8-10-29(20)23)21-15-18(7-9-28(21)22)27-13-11-26(3)12-14-27/h4-10,15-17H,11-14H2,1-3H3
InChIKeyMVAAQBPLRMHHAA-UHFFFAOYSA-N
XLogP3.84
TPSA45.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one (CID 127039448) is 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one is CC(C)C(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12.
What is the InChIKey of 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one?
The InChIKey is MVAAQBPLRMHHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-17(2)24(30)22-16-19(20-5-4-6-23-25-8-10-29(20)23)21-15-18(7-9-28(21)22)27-13-11-26(3)12-14-27/h4-10,15-17H,11-14H2,1-3H3.
What are the key properties of 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one?
1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one has a molecular weight of 401.51 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-imidazo[1,2-a]pyridin-5-yl-7-(4-methylpiperazin-1-yl)indolizin-3-yl]-2-methylpropan-1-one is sourced from PubChem (CID 127039448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).