N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine

C26H21N7O2 — CID 58140074

IUPACN-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine
SMILESCc1nnc(Cc2ccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3c2)o1
InChIInChI=1S/C26H21N7O2/c1-16-11-19(4-6-23(16)35-20-7-9-33-10-8-27-24(33)14-20)30-26-21-12-18(3-5-22(21)28-15-29-26)13-25-32-31-17(2)34-25/h3-12,14-15H,13H2,1-2H3,(H,28,29,30)
InChIKeyONBDBENWSVPPHZ-UHFFFAOYSA-N
MW463.50 g/mol
LogP5.40
Rot. Bonds6

About N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine

N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine (PubChem CID 58140074) has the molecular formula C26H21N7O2 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine
PubChem CID58140074
Molecular FormulaC26H21N7O2
Molecular Weight463.50 g/mol
Exact Mass463.18
IUPAC NameN-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine
SMILESCc1nnc(Cc2ccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3c2)o1
InChIInChI=1S/C26H21N7O2/c1-16-11-19(4-6-23(16)35-20-7-9-33-10-8-27-24(33)14-20)30-26-21-12-18(3-5-22(21)28-15-29-26)13-25-32-31-17(2)34-25/h3-12,14-15H,13H2,1-2H3,(H,28,29,30)
InChIKeyONBDBENWSVPPHZ-UHFFFAOYSA-N
XLogP5.40
TPSA103.26 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine with MolForge

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Related Compounds

2-methoxy-N-[(E)-3-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enyl]acetamide
CID 137376541
(E)-3-[(2R)-1-methylpyrrolidin-2-yl]-N-[4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinazolin-6-yl]prop-2-enamide
CID 137376670
(E)-N-[3-cyano-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinolin-6-yl]-3-[(2R)-1-methylpyrrolidin-2-yl]prop-2-enamide
CID 137535296
N-hydroxy-7-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]heptanamide
CID 134137500
N-hydroxy-6-[4-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]quinazolin-6-yl]triazol-1-yl]hexanamide
CID 134137789
(E)-N-[3-cyano-4-[3-methyl-4-([1,2,4]triazolo[4,3-c]pyrimidin-7-yloxy)anilino]quinolin-6-yl]-4-(dimethylamino)but-2-enamide
CID 168271897
N-(3-imidazol-1-ylpropyl)-6-(2-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 151546137
N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)quinolin-4-amine
CID 153370145
US11834453, Example 137
CID 162428914
US11834453, Example 34
CID 162428980
US12447153, Example 296
CID 166543788
US12447153, Example 386
CID 166543976

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine (CID 58140074) is N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine is Cc1nnc(Cc2ccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3c2)o1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine?
The InChIKey is ONBDBENWSVPPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O2/c1-16-11-19(4-6-23(16)35-20-7-9-33-10-8-27-24(33)14-20)30-26-21-12-18(3-5-22(21)28-15-29-26)13-25-32-31-17(2)34-25/h3-12,14-15H,13H2,1-2H3,(H,28,29,30).
What are the key properties of N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine?
N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine has a molecular weight of 463.50 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 58140074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).