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

C27H25N9O — CID 155587894

IUPACN-[[4-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]phenyl]methyl]-6-[7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILES[H]/N=C/C(=N\NC)c1ccc(CNc2cc(-c3cnc4cc(OCc5ccccn5)ccn34)ncn2)cc1
InChIInChI=1S/C27H25N9O/c1-29-35-24(14-28)20-7-5-19(6-8-20)15-31-26-13-23(33-18-34-26)25-16-32-27-12-22(9-11-36(25)27)37-17-21-4-2-3-10-30-21/h2-14,16,18,28-29H,15,17H2,1H3,(H,31,33,34)/b28-14+,35-24+
InChIKeyLIZKHKOWDHKKSD-RNMPKNGJSA-N
MW491.56 g/mol
LogP3.95
Rot. Bonds10

About 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

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 (PubChem CID 155587894) has the molecular formula C27H25N9O and a molecular weight of 491.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[4-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]phenyl]methyl]-6-[7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
PubChem CID155587894
Molecular FormulaC27H25N9O
Molecular Weight491.56 g/mol
Exact Mass491.22
IUPAC NameN-[[4-[(Z)-C-methanimidoyl-N-(methylamino)carbonimidoyl]phenyl]methyl]-6-[7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
SMILES[H]/N=C/C(=N\NC)c1ccc(CNc2cc(-c3cnc4cc(OCc5ccccn5)ccn34)ncn2)cc1
InChIInChI=1S/C27H25N9O/c1-29-35-24(14-28)20-7-5-19(6-8-20)15-31-26-13-23(33-18-34-26)25-16-32-27-12-22(9-11-36(25)27)37-17-21-4-2-3-10-30-21/h2-14,16,18,28-29H,15,17H2,1H3,(H,31,33,34)/b28-14+,35-24+
InChIKeyLIZKHKOWDHKKSD-RNMPKNGJSA-N
XLogP3.95
TPSA125.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

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
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-(dimethylamino)propoxy]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine;N-[(Z)-[2-imino-1-(4-methylphenyl)ethylidene]amino]methanamine
CID 155587482
(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
3-[6-[2-[4-(2-methyltriazol-4-yl)phenyl]ethyl]pyrimidin-4-yl]-7-(pyridin-2-ylmethoxy)imidazo[1,2-a]pyridine
CID 167538307
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
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
6-[7-(3-methylsulfonylpropoxy)imidazo[1,2-a]pyridin-3-yl]-N-[[4-(2-methyltriazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587473
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-[(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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H]/N=C/C(=N\NC)c1ccc(CNc2cc(-c3cnc4cc(OCc5ccccn5)ccn34)ncn2)cc1.
What is the InChIKey of 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?
The InChIKey is LIZKHKOWDHKKSD-RNMPKNGJSA-N. The full InChI is InChI=1S/C27H25N9O/c1-29-35-24(14-28)20-7-5-19(6-8-20)15-31-26-13-23(33-18-34-26)25-16-32-27-12-22(9-11-36(25)27)37-17-21-4-2-3-10-30-21/h2-14,16,18,28-29H,15,17H2,1H3,(H,31,33,34)/b28-14+,35-24+.
What are the key properties of 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?
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 has a molecular weight of 491.56 g/mol, XLogP of 3.95, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155587894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).