7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one

C22H23N5O2 — CID 71730113

IUPAC7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
SMILESCc1ccn2cc(-c3cc4ccc(N5CCN(C)C[C@@H]5C)nc4oc3=O)nc2c1
InChIInChI=1S/C22H23N5O2/c1-14-6-7-26-13-18(23-20(26)10-14)17-11-16-4-5-19(24-21(16)29-22(17)28)27-9-8-25(3)12-15(27)2/h4-7,10-11,13,15H,8-9,12H2,1-3H3/t15-/m0/s1
InChIKeyGUKZWIZTIYJNSI-HNNXBMFYSA-N
MW389.46 g/mol
LogP2.95
Rot. Bonds2

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

7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 71730113) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID71730113
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one
SMILESCc1ccn2cc(-c3cc4ccc(N5CCN(C)C[C@@H]5C)nc4oc3=O)nc2c1
InChIInChI=1S/C22H23N5O2/c1-14-6-7-26-13-18(23-20(26)10-14)17-11-16-4-5-19(24-21(16)29-22(17)28)27-9-8-25(3)12-15(27)2/h4-7,10-11,13,15H,8-9,12H2,1-3H3/t15-/m0/s1
InChIKeyGUKZWIZTIYJNSI-HNNXBMFYSA-N
XLogP2.95
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one (CID 71730113) is 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one is Cc1ccn2cc(-c3cc4ccc(N5CCN(C)C[C@@H]5C)nc4oc3=O)nc2c1.
What is the InChIKey of 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is GUKZWIZTIYJNSI-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-14-6-7-26-13-18(23-20(26)10-14)17-11-16-4-5-19(24-21(16)29-22(17)28)27-9-8-25(3)12-15(27)2/h4-7,10-11,13,15H,8-9,12H2,1-3H3/t15-/m0/s1.
What are the key properties of 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one?
7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 389.46 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-2,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71730113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).