1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one

C22H26N6O2 — CID 169129571

IUPAC1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CCCNC4)n3)n2cc1N1CCCC1=O
InChIInChI=1S/C22H26N6O2/c1-30-19-11-21-24-13-17(28(21)14-18(19)27-10-4-8-22(27)29)16-6-2-7-20(26-16)25-15-5-3-9-23-12-15/h2,6-7,11,13-15,23H,3-5,8-10,12H2,1H3,(H,25,26)/t15-/m0/s1
InChIKeyAXMIUKGSXHPPFH-HNNXBMFYSA-N
MW406.49 g/mol
LogP2.70
Rot. Bonds5

About 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one

1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one (PubChem CID 169129571) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
PubChem CID169129571
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one
SMILESCOc1cc2ncc(-c3cccc(N[C@H]4CCCNC4)n3)n2cc1N1CCCC1=O
InChIInChI=1S/C22H26N6O2/c1-30-19-11-21-24-13-17(28(21)14-18(19)27-10-4-8-22(27)29)16-6-2-7-20(26-16)25-15-5-3-9-23-12-15/h2,6-7,11,13-15,23H,3-5,8-10,12H2,1H3,(H,25,26)/t15-/m0/s1
InChIKeyAXMIUKGSXHPPFH-HNNXBMFYSA-N
XLogP2.70
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one?
The IUPAC name of 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one (CID 169129571) is 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one is COc1cc2ncc(-c3cccc(N[C@H]4CCCNC4)n3)n2cc1N1CCCC1=O.
What is the InChIKey of 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one?
The InChIKey is AXMIUKGSXHPPFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-30-19-11-21-24-13-17(28(21)14-18(19)27-10-4-8-22(27)29)16-6-2-7-20(26-16)25-15-5-3-9-23-12-15/h2,6-7,11,13-15,23H,3-5,8-10,12H2,1H3,(H,25,26)/t15-/m0/s1.
What are the key properties of 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one?
1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one has a molecular weight of 406.49 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-methoxy-3-[6-[[(3S)-piperidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]pyrrolidin-2-one is sourced from PubChem (CID 169129571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).