N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine

C26H26N8O — CID 170573710

IUPACN-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESC[C@@H](Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4)on3)n2)n1)c1cnc2ccccn12
InChIInChI=1S/C26H26N8O/c1-17(23-15-28-25-8-3-4-12-34(23)25)29-26-27-11-9-21(31-26)19-6-5-7-20(30-19)22-14-24(35-32-22)18-10-13-33(2)16-18/h3-9,11-12,14-15,17-18H,10,13,16H2,1-2H3,(H,27,29,31)/t17-,18-/m1/s1
InChIKeyYIUNTEUPRWXBOQ-QZTJIDSGSA-N
MW466.55 g/mol
LogP4.43
Rot. Bonds6

About N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine

N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 170573710) has the molecular formula C26H26N8O and a molecular weight of 466.55 g/mol. Its IUPAC name is N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID170573710
Molecular FormulaC26H26N8O
Molecular Weight466.55 g/mol
Exact Mass466.22
IUPAC NameN-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine
SMILESC[C@@H](Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4)on3)n2)n1)c1cnc2ccccn12
InChIInChI=1S/C26H26N8O/c1-17(23-15-28-25-8-3-4-12-34(23)25)29-26-27-11-9-21(31-26)19-6-5-7-20(30-19)22-14-24(35-32-22)18-10-13-33(2)16-18/h3-9,11-12,14-15,17-18H,10,13,16H2,1-2H3,(H,27,29,31)/t17-,18-/m1/s1
InChIKeyYIUNTEUPRWXBOQ-QZTJIDSGSA-N
XLogP4.43
TPSA97.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.55
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine (CID 170573710) is N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine is C[C@@H](Nc1nccc(-c2cccc(-c3cc([C@@H]4CCN(C)C4)on3)n2)n1)c1cnc2ccccn12.
What is the InChIKey of N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is YIUNTEUPRWXBOQ-QZTJIDSGSA-N. The full InChI is InChI=1S/C26H26N8O/c1-17(23-15-28-25-8-3-4-12-34(23)25)29-26-27-11-9-21(31-26)19-6-5-7-20(30-19)22-14-24(35-32-22)18-10-13-33(2)16-18/h3-9,11-12,14-15,17-18H,10,13,16H2,1-2H3,(H,27,29,31)/t17-,18-/m1/s1.
What are the key properties of N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine?
N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 466.55 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-imidazo[1,2-a]pyridin-3-ylethyl]-4-[6-[5-[(3R)-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 170573710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).