6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine

C27H28N8O — CID 155587755

IUPAC6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCN1CC(COc2ccn3c(-c4cc(NCc5ccc(-c6cnn(C)c6)cc5)ncn4)cnc3c2)C1
InChIInChI=1S/C27H28N8O/c1-33-14-20(15-33)17-36-23-7-8-35-25(13-29-27(35)9-23)24-10-26(31-18-30-24)28-11-19-3-5-21(6-4-19)22-12-32-34(2)16-22/h3-10,12-13,16,18,20H,11,14-15,17H2,1-2H3,(H,28,30,31)
InChIKeyDYMGRNVMAGSZDA-UHFFFAOYSA-N
MW480.58 g/mol
LogP3.74
Rot. Bonds8

About 6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine

6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 155587755) has the molecular formula C27H28N8O and a molecular weight of 480.58 g/mol. Its IUPAC name is 6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID155587755
Molecular FormulaC27H28N8O
Molecular Weight480.58 g/mol
Exact Mass480.24
IUPAC Name6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCN1CC(COc2ccn3c(-c4cc(NCc5ccc(-c6cnn(C)c6)cc5)ncn4)cnc3c2)C1
InChIInChI=1S/C27H28N8O/c1-33-14-20(15-33)17-36-23-7-8-35-25(13-29-27(35)9-23)24-10-26(31-18-30-24)28-11-19-3-5-21(6-4-19)22-12-32-34(2)16-22/h3-10,12-13,16,18,20H,11,14-15,17H2,1-2H3,(H,28,30,31)
InChIKeyDYMGRNVMAGSZDA-UHFFFAOYSA-N
XLogP3.74
TPSA85.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.58
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-[7-[2-(3-fluoroazetidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587590
6-[7-[2-(3-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587534
6-[7-[3-(azetidin-1-yl)propoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587846
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[3-(oxetan-3-ylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587543
3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine
CID 155587709
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-(2-oxa-6-azaspiro[3.3]heptan-6-yl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 158581361
6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587788
3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]-1H-imidazo[1,2-a]pyridin-7-one
CID 155587558
N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]-6-[7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587837
6-[7-(3-methylsulfonylpropoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587473
(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine
CID 155587723
(Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine
CID 155587675

Frequently Asked Questions

What is the IUPAC name of 6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine (CID 155587755) is 6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine is CN1CC(COc2ccn3c(-c4cc(NCc5ccc(-c6cnn(C)c6)cc5)ncn4)cnc3c2)C1.
What is the InChIKey of 6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is DYMGRNVMAGSZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8O/c1-33-14-20(15-33)17-36-23-7-8-35-25(13-29-27(35)9-23)24-10-26(31-18-30-24)28-11-19-3-5-21(6-4-19)22-12-32-34(2)16-22/h3-10,12-13,16,18,20H,11,14-15,17H2,1-2H3,(H,28,30,31).
What are the key properties of 6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine?
6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 480.58 g/mol, XLogP of 3.74, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[(1-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 155587755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).