2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine

C38H34FN11O3 — CID 138721007

IUPAC2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1cc(Cc3cc(-c4ccc(Cc5cn6c(N)nc7c(OC)cccc7c6n5)c(N5CCOCC5)n4)cnc3F)nc21
InChIInChI=1S/C38H34FN11O3/c1-51-29-7-3-5-26-31(29)46-37(40)49-19-24(43-35(26)49)16-21-9-10-28(45-34(21)48-11-13-53-14-12-48)23-15-22(33(39)42-18-23)17-25-20-50-36(44-25)27-6-4-8-30(52-2)32(27)47-38(50)41/h3-10,15,18-20H,11-14,16-17H2,1-2H3,(H2,40,46)(H2,41,47)
InChIKeyGYTCGUIMVKUEPW-UHFFFAOYSA-N
MW711.76 g/mol
LogP4.87
Rot. Bonds8

About 2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine

2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine (PubChem CID 138721007) has the molecular formula C38H34FN11O3 and a molecular weight of 711.76 g/mol. Its IUPAC name is 2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
PubChem CID138721007
Molecular FormulaC38H34FN11O3
Molecular Weight711.76 g/mol
Exact Mass711.28
IUPAC Name2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1cc(Cc3cc(-c4ccc(Cc5cn6c(N)nc7c(OC)cccc7c6n5)c(N5CCOCC5)n4)cnc3F)nc21
InChIInChI=1S/C38H34FN11O3/c1-51-29-7-3-5-26-31(29)46-37(40)49-19-24(43-35(26)49)16-21-9-10-28(45-34(21)48-11-13-53-14-12-48)23-15-22(33(39)42-18-23)17-25-20-50-36(44-25)27-6-4-8-30(52-2)32(27)47-38(50)41/h3-10,15,18-20H,11-14,16-17H2,1-2H3,(H2,40,46)(H2,41,47)
InChIKeyGYTCGUIMVKUEPW-UHFFFAOYSA-N
XLogP4.87
TPSA169.13 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.76
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
The IUPAC name of 2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine (CID 138721007) is 2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine.
What is the SMILES notation for 2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
The canonical SMILES for 2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1cc(Cc3cc(-c4ccc(Cc5cn6c(N)nc7c(OC)cccc7c6n5)c(N5CCOCC5)n4)cnc3F)nc21.
What is the InChIKey of 2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
The InChIKey is GYTCGUIMVKUEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H34FN11O3/c1-51-29-7-3-5-26-31(29)46-37(40)49-19-24(43-35(26)49)16-21-9-10-28(45-34(21)48-11-13-53-14-12-48)23-15-22(33(39)42-18-23)17-25-20-50-36(44-25)27-6-4-8-30(52-2)32(27)47-38(50)41/h3-10,15,18-20H,11-14,16-17H2,1-2H3,(H2,40,46)(H2,41,47).
What are the key properties of 2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine?
2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine has a molecular weight of 711.76 g/mol, XLogP of 4.87, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[5-[(5-amino-7-methoxyimidazo[1,2-c]quinazolin-2-yl)methyl]-6-fluoro-3-pyridinyl]-2-morpholin-4-yl-3-pyridinyl]methyl]-7-methoxyimidazo[1,2-c]quinazolin-5-amine is sourced from PubChem (CID 138721007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).