3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one

C21H21N5O2 — CID 71732059

IUPAC3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
SMILESCc1ccn2cc(-c3cc4ccc(N5CCNC[C@@H]5C)nc4oc3=O)nc2c1
InChIInChI=1S/C21H21N5O2/c1-13-5-7-25-12-17(23-19(25)9-13)16-10-15-3-4-18(24-20(15)28-21(16)27)26-8-6-22-11-14(26)2/h3-5,7,9-10,12,14,22H,6,8,11H2,1-2H3/t14-/m0/s1
InChIKeyZCRFKGQPOWYMOL-AWEZNQCLSA-N
MW375.43 g/mol
LogP2.61
Rot. Bonds2

About 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one

3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one (PubChem CID 71732059) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
PubChem CID71732059
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
SMILESCc1ccn2cc(-c3cc4ccc(N5CCNC[C@@H]5C)nc4oc3=O)nc2c1
InChIInChI=1S/C21H21N5O2/c1-13-5-7-25-12-17(23-19(25)9-13)16-10-15-3-4-18(24-20(15)28-21(16)27)26-8-6-22-11-14(26)2/h3-5,7,9-10,12,14,22H,6,8,11H2,1-2H3/t14-/m0/s1
InChIKeyZCRFKGQPOWYMOL-AWEZNQCLSA-N
XLogP2.61
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one (CID 71732059) is 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one is Cc1ccn2cc(-c3cc4ccc(N5CCNC[C@@H]5C)nc4oc3=O)nc2c1.
What is the InChIKey of 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
The InChIKey is ZCRFKGQPOWYMOL-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-13-5-7-25-12-17(23-19(25)9-13)16-10-15-3-4-18(24-20(15)28-21(16)27)26-8-6-22-11-14(26)2/h3-5,7,9-10,12,14,22H,6,8,11H2,1-2H3/t14-/m0/s1.
What are the key properties of 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one?
3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one has a molecular weight of 375.43 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-[(2S)-2-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71732059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).