N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide

C25H26FN7O2 — CID 155629802

IUPACN-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc2ccc(C3COC(N)(C(NC(=O)c4cnccn4)c4ccc(F)cc4)CN3C)cn12
InChIInChI=1S/C25H26FN7O2/c1-16-11-30-22-8-5-18(13-33(16)22)21-14-35-25(27,15-32(21)2)23(17-3-6-19(26)7-4-17)31-24(34)20-12-28-9-10-29-20/h3-13,21,23H,14-15,27H2,1-2H3,(H,31,34)
InChIKeyQJTWQJPPUDTZHA-UHFFFAOYSA-N
MW475.53 g/mol
LogP2.40
Rot. Bonds5

About N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide

N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide (PubChem CID 155629802) has the molecular formula C25H26FN7O2 and a molecular weight of 475.53 g/mol. Its IUPAC name is N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide
PubChem CID155629802
Molecular FormulaC25H26FN7O2
Molecular Weight475.53 g/mol
Exact Mass475.21
IUPAC NameN-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide
SMILESCc1cnc2ccc(C3COC(N)(C(NC(=O)c4cnccn4)c4ccc(F)cc4)CN3C)cn12
InChIInChI=1S/C25H26FN7O2/c1-16-11-30-22-8-5-18(13-33(16)22)21-14-35-25(27,15-32(21)2)23(17-3-6-19(26)7-4-17)31-24(34)20-12-28-9-10-29-20/h3-13,21,23H,14-15,27H2,1-2H3,(H,31,34)
InChIKeyQJTWQJPPUDTZHA-UHFFFAOYSA-N
XLogP2.40
TPSA110.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.53
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The IUPAC name of N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide (CID 155629802) is N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide is Cc1cnc2ccc(C3COC(N)(C(NC(=O)c4cnccn4)c4ccc(F)cc4)CN3C)cn12.
What is the InChIKey of N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
The InChIKey is QJTWQJPPUDTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O2/c1-16-11-30-22-8-5-18(13-33(16)22)21-14-35-25(27,15-32(21)2)23(17-3-6-19(26)7-4-17)31-24(34)20-12-28-9-10-29-20/h3-13,21,23H,14-15,27H2,1-2H3,(H,31,34).
What are the key properties of N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide?
N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide has a molecular weight of 475.53 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-4-methyl-5-(3-methylimidazo[1,2-a]pyridin-6-yl)morpholin-2-yl]-(4-fluorophenyl)methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 155629802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).