(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine

C22H23N7O — CID 155587723

IUPAC(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine
SMILESCN/C=C(\N)c1ccc(CNc2cc(-c3cnc4cc(OC)ccn34)ncn2)cc1
InChIInChI=1S/C22H23N7O/c1-24-12-18(23)16-5-3-15(4-6-16)11-25-21-10-19(27-14-28-21)20-13-26-22-9-17(30-2)7-8-29(20)22/h3-10,12-14,24H,11,23H2,1-2H3,(H,25,27,28)/b18-12-
InChIKeyCPWSLCAJVWVWAY-PDGQHHTCSA-N
MW401.47 g/mol
LogP2.89
Rot. Bonds7

About (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine

(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine (PubChem CID 155587723) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine
PubChem CID155587723
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine
SMILESCN/C=C(\N)c1ccc(CNc2cc(-c3cnc4cc(OC)ccn34)ncn2)cc1
InChIInChI=1S/C22H23N7O/c1-24-12-18(23)16-5-3-15(4-6-16)11-25-21-10-19(27-14-28-21)20-13-26-22-9-17(30-2)7-8-29(20)22/h3-10,12-14,24H,11,23H2,1-2H3,(H,25,27,28)/b18-12-
InChIKeyCPWSLCAJVWVWAY-PDGQHHTCSA-N
XLogP2.89
TPSA102.39 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine with MolForge

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Related Compounds

6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587788
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
CID 155587897
(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
N-[[4-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]phenyl]methyl]-6-[7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587894
N-[[4-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]phenyl]methyl]-6-[7-(2-pyridin-3-ylethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587481
3-[6-[[4-(1-methylpyrazol-4-yl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-amine
CID 155587709
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
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
4-[3-[3-[6-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]oxypropyl]morpholin-3-one
CID 155587697
N-[[4-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]phenyl]methyl]-6-[7-[2-(5-methyl-2,5-diazabicyclo[2.2.1]hept-3-en-2-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587522
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
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

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine?
The IUPAC name of (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) is (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine.
What is the SMILES notation for (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine?
The canonical SMILES for (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine is CN/C=C(\N)c1ccc(CNc2cc(-c3cnc4cc(OC)ccn34)ncn2)cc1.
What is the InChIKey of (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine?
The InChIKey is CPWSLCAJVWVWAY-PDGQHHTCSA-N. The full InChI is InChI=1S/C22H23N7O/c1-24-12-18(23)16-5-3-15(4-6-16)11-25-21-10-19(27-14-28-21)20-13-26-22-9-17(30-2)7-8-29(20)22/h3-10,12-14,24H,11,23H2,1-2H3,(H,25,27,28)/b18-12-.
What are the key properties of (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine?
(Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine has a molecular weight of 401.47 g/mol, XLogP of 2.89, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[4-[[[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]methyl]phenyl]-N'-methylethene-1,2-diamine is sourced from PubChem (CID 155587723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).