1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one

C19H22N6O — CID 141299002

IUPAC1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccccn34)n2)C1
InChIInChI=1S/C19H22N6O/c1-2-18(26)24-10-5-6-14(13-24)22-16-8-9-20-19(23-16)15-12-21-17-7-3-4-11-25(15)17/h3-4,7-9,11-12,14H,2,5-6,10,13H2,1H3,(H,20,22,23)/t14-/m1/s1
InChIKeyGBJHHXKYCOQPCC-CQSZACIVSA-N
MW350.43 g/mol
LogP2.60
Rot. Bonds4

About 1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one

1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 141299002) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
PubChem CID141299002
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccccn34)n2)C1
InChIInChI=1S/C19H22N6O/c1-2-18(26)24-10-5-6-14(13-24)22-16-8-9-20-19(23-16)15-12-21-17-7-3-4-11-25(15)17/h3-4,7-9,11-12,14H,2,5-6,10,13H2,1H3,(H,20,22,23)/t14-/m1/s1
InChIKeyGBJHHXKYCOQPCC-CQSZACIVSA-N
XLogP2.60
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one (CID 141299002) is 1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H](Nc2ccnc(-c3cnc4ccccn34)n2)C1.
What is the InChIKey of 1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is GBJHHXKYCOQPCC-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N6O/c1-2-18(26)24-10-5-6-14(13-24)22-16-8-9-20-19(23-16)15-12-21-17-7-3-4-11-25(15)17/h3-4,7-9,11-12,14H,2,5-6,10,13H2,1H3,(H,20,22,23)/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one?
1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 350.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[(2-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 141299002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).