7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one

C22H22FN5O2 — CID 118130190

IUPAC7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
SMILESCc1cc(F)c2nc(-c3cc4ccc(N5C[C@H](C)NC[C@H]5C)nc4oc3=O)cn2c1
InChIInChI=1S/C22H22FN5O2/c1-12-6-17(23)20-25-18(11-27(20)9-12)16-7-15-4-5-19(26-21(15)30-22(16)29)28-10-13(2)24-8-14(28)3/h4-7,9,11,13-14,24H,8,10H2,1-3H3/t13-,14+/m0/s1
InChIKeyWATUEUDATSCBKI-UONOGXRCSA-N
MW407.45 g/mol
LogP3.14
Rot. Bonds2

About 7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one

7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 118130190) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID118130190
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
SMILESCc1cc(F)c2nc(-c3cc4ccc(N5C[C@H](C)NC[C@H]5C)nc4oc3=O)cn2c1
InChIInChI=1S/C22H22FN5O2/c1-12-6-17(23)20-25-18(11-27(20)9-12)16-7-15-4-5-19(26-21(15)30-22(16)29)28-10-13(2)24-8-14(28)3/h4-7,9,11,13-14,24H,8,10H2,1-3H3/t13-,14+/m0/s1
InChIKeyWATUEUDATSCBKI-UONOGXRCSA-N
XLogP3.14
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one (CID 118130190) is 7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one is Cc1cc(F)c2nc(-c3cc4ccc(N5C[C@H](C)NC[C@H]5C)nc4oc3=O)cn2c1.
What is the InChIKey of 7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is WATUEUDATSCBKI-UONOGXRCSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-12-6-17(23)20-25-18(11-27(20)9-12)16-7-15-4-5-19(26-21(15)30-22(16)29)28-10-13(2)24-8-14(28)3/h4-7,9,11,13-14,24H,8,10H2,1-3H3/t13-,14+/m0/s1.
What are the key properties of 7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 407.45 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 118130190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).