3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

C26H26FN7O3 — CID 155678666

IUPAC3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3c(F)cccc3N3CCOCC3)c(N)nc2-c2ccc[nH]2)ccc1=O
InChIInChI=1S/C26H26FN7O3/c1-33-15-16(7-8-21(33)35)22-23(19-5-3-9-29-19)32-25(28)24(31-22)26(36)30-14-17-18(27)4-2-6-20(17)34-10-12-37-13-11-34/h2-9,15,29H,10-14H2,1H3,(H2,28,32)(H,30,36)
InChIKeyGXJKVKWRBUCPNC-UHFFFAOYSA-N
MW503.54 g/mol
LogP2.33
Rot. Bonds6

About 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide

3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (PubChem CID 155678666) has the molecular formula C26H26FN7O3 and a molecular weight of 503.54 g/mol. Its IUPAC name is 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
PubChem CID155678666
Molecular FormulaC26H26FN7O3
Molecular Weight503.54 g/mol
Exact Mass503.21
IUPAC Name3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide
SMILESCn1cc(-c2nc(C(=O)NCc3c(F)cccc3N3CCOCC3)c(N)nc2-c2ccc[nH]2)ccc1=O
InChIInChI=1S/C26H26FN7O3/c1-33-15-16(7-8-21(33)35)22-23(19-5-3-9-29-19)32-25(28)24(31-22)26(36)30-14-17-18(27)4-2-6-20(17)34-10-12-37-13-11-34/h2-9,15,29H,10-14H2,1H3,(H2,28,32)(H,30,36)
InChIKeyGXJKVKWRBUCPNC-UHFFFAOYSA-N
XLogP2.33
TPSA131.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.54
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide (CID 155678666) is 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is Cn1cc(-c2nc(C(=O)NCc3c(F)cccc3N3CCOCC3)c(N)nc2-c2ccc[nH]2)ccc1=O.
What is the InChIKey of 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
The InChIKey is GXJKVKWRBUCPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O3/c1-33-15-16(7-8-21(33)35)22-23(19-5-3-9-29-19)32-25(28)24(31-22)26(36)30-14-17-18(27)4-2-6-20(17)34-10-12-37-13-11-34/h2-9,15,29H,10-14H2,1H3,(H2,28,32)(H,30,36).
What are the key properties of 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide?
3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide has a molecular weight of 503.54 g/mol, XLogP of 2.33, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-fluoro-6-morpholin-4-ylphenyl)methyl]-6-(1-methyl-6-oxo-3-pyridinyl)-5-(1H-pyrrol-2-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 155678666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).