3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one

C23H25N5O2 — CID 71730643

IUPAC3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
SMILESCc1ccc2nc(-c3cc4ccc(N5C[C@H](C)N(C)C[C@H]5C)nc4oc3=O)cn2c1
InChIInChI=1S/C23H25N5O2/c1-14-5-7-20-24-19(13-27(20)10-14)18-9-17-6-8-21(25-22(17)30-23(18)29)28-12-15(2)26(4)11-16(28)3/h5-10,13,15-16H,11-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyJNFNOQFFVAXVKY-JKSUJKDBSA-N
MW403.49 g/mol
LogP3.34
Rot. Bonds2

About 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one

3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one (PubChem CID 71730643) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
PubChem CID71730643
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
SMILESCc1ccc2nc(-c3cc4ccc(N5C[C@H](C)N(C)C[C@H]5C)nc4oc3=O)cn2c1
InChIInChI=1S/C23H25N5O2/c1-14-5-7-20-24-19(13-27(20)10-14)18-9-17-6-8-21(25-22(17)30-23(18)29)28-12-15(2)26(4)11-16(28)3/h5-10,13,15-16H,11-12H2,1-4H3/t15-,16+/m0/s1
InChIKeyJNFNOQFFVAXVKY-JKSUJKDBSA-N
XLogP3.34
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one (CID 71730643) is 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one is Cc1ccc2nc(-c3cc4ccc(N5C[C@H](C)N(C)C[C@H]5C)nc4oc3=O)cn2c1.
What is the InChIKey of 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The InChIKey is JNFNOQFFVAXVKY-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-14-5-7-20-24-19(13-27(20)10-14)18-9-17-6-8-21(25-22(17)30-23(18)29)28-12-15(2)26(4)11-16(28)3/h5-10,13,15-16H,11-12H2,1-4H3/t15-,16+/m0/s1.
What are the key properties of 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one has a molecular weight of 403.49 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71730643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).