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

C23H25N7O2 — CID 155587675

IUPAC(Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine
SMILESCOCCOc1ccn2c(-c3cc(NCc4ccc(N/C=C\N)cc4)ncn3)cnc2c1
InChIInChI=1S/C23H25N7O2/c1-31-10-11-32-19-6-9-30-21(15-27-23(30)12-19)20-13-22(29-16-28-20)26-14-17-2-4-18(5-3-17)25-8-7-24/h2-9,12-13,15-16,25H,10-11,14,24H2,1H3,(H,26,28,29)/b8-7-
InChIKeyCBKHEGACHVOFBL-FPLPWBNLSA-N
MW431.50 g/mol
LogP3.27
Rot. Bonds10

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

(Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine (PubChem CID 155587675) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is (Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine
PubChem CID155587675
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name(Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine
SMILESCOCCOc1ccn2c(-c3cc(NCc4ccc(N/C=C\N)cc4)ncn3)cnc2c1
InChIInChI=1S/C23H25N7O2/c1-31-10-11-32-19-6-9-30-21(15-27-23(30)12-19)20-13-22(29-16-28-20)26-14-17-2-4-18(5-3-17)25-8-7-24/h2-9,12-13,15-16,25H,10-11,14,24H2,1H3,(H,26,28,29)/b8-7-
InChIKeyCBKHEGACHVOFBL-FPLPWBNLSA-N
XLogP3.27
TPSA111.62 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

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Related Compounds

3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine
CID 155587467
(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
6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)-N-[[4-(2-methylpyrimidin-5-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587788
7-(2-methoxyethoxy)-3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 175782225
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
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
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-amine
CID 155587897
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-fluoropyrrolidin-1-yl)ethoxy]imidazo[1,2-a]pyridin-3-yl]-N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]pyrimidin-4-amine
CID 155587534

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine?
The IUPAC name of (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) is (Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine?
The canonical SMILES for (Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine is COCCOc1ccn2c(-c3cc(NCc4ccc(N/C=C\N)cc4)ncn3)cnc2c1.
What is the InChIKey of (Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine?
The InChIKey is CBKHEGACHVOFBL-FPLPWBNLSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-31-10-11-32-19-6-9-30-21(15-27-23(30)12-19)20-13-22(29-16-28-20)26-14-17-2-4-18(5-3-17)25-8-7-24/h2-9,12-13,15-16,25H,10-11,14,24H2,1H3,(H,26,28,29)/b8-7-.
What are the key properties of (Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine?
(Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine has a molecular weight of 431.50 g/mol, XLogP of 3.27, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-[4-[[[6-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]amino]methyl]phenyl]ethene-1,2-diamine is sourced from PubChem (CID 155587675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).