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

C21H21N5O2 — CID 71730377

IUPAC7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one
SMILESC[C@H]1CN(c2ccc3cc(-c4cn5ccccc5n4)c(=O)oc3n2)CCN1C
InChIInChI=1S/C21H21N5O2/c1-14-12-26(10-9-24(14)2)19-7-6-15-11-16(21(27)28-20(15)23-19)17-13-25-8-4-3-5-18(25)22-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m0/s1
InChIKeyKQNGAQLMGJJHMG-AWEZNQCLSA-N
MW375.43 g/mol
LogP2.64
Rot. Bonds2

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

7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one (PubChem CID 71730377) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one
PubChem CID71730377
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one
SMILESC[C@H]1CN(c2ccc3cc(-c4cn5ccccc5n4)c(=O)oc3n2)CCN1C
InChIInChI=1S/C21H21N5O2/c1-14-12-26(10-9-24(14)2)19-7-6-15-11-16(21(27)28-20(15)23-19)17-13-25-8-4-3-5-18(25)22-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m0/s1
InChIKeyKQNGAQLMGJJHMG-AWEZNQCLSA-N
XLogP2.64
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one?
The IUPAC name of 7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one (CID 71730377) is 7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one is C[C@H]1CN(c2ccc3cc(-c4cn5ccccc5n4)c(=O)oc3n2)CCN1C.
What is the InChIKey of 7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one?
The InChIKey is KQNGAQLMGJJHMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-14-12-26(10-9-24(14)2)19-7-6-15-11-16(21(27)28-20(15)23-19)17-13-25-8-4-3-5-18(25)22-17/h3-8,11,13-14H,9-10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one?
7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one has a molecular weight of 375.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyridin-2-ylpyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 71730377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).